SDF/Mol File of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol (C19H24N2O)
Identification of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol Chemical Compound
![2D chemical structure image of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol](http://static.molinstincts.com/compound_common/2-2-1R-2R-4R-5R-5-ethenyl-1-azabicyclo-2-2-2-octan-2-yl-1H-indol-3-yl-2D-structure-CT1000000575.png)
| Chemical Formula | C19H24N2O |
|---|---|
| Molecular Weight | 296.40666 g/mol |
| IUPAC Name | 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol |
| SMILES String | OCCc1c([nH]c2ccccc12)C3CC4CCN3CC4C=C |
| InChI | InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14+,18+/m0/s1 |
| InChIKey | YAUKSCGKZYUZRH-PMUMKWKESA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol](http://static.molinstincts.com/compound_3d/2-2-1R-2R-4R-5R-5-ethenyl-1-azabicyclo-2-2-2-octan-2-yl-1H-indol-3-yl-3D-structure-CT1000000575.png)
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Additional Information for Identifying 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol Molecule
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Chemical structure of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is available in chemical structure page of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol
The molecular weight of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is available in molecular weight page of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol
The chemical formula of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is given in chemical formula page of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is:
InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14+,18+/m0/s1
It can provide a standard way to encode the molecular information of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol is:
InChIKey=YAUKSCGKZYUZRH-PMUMKWKESA-N
The InChIKey may allow easier web searches for 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol, but it needs to be linked to the full InChI to get back to the original structure of the 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol
The 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol including the registry numbers are listed below, if available:
- 2-[2-[(2R,4R,5R)-5-vinyl-2-quinuclidinyl]-1H-indol-3-yl]ethanol
- 2-[2-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]-1H-indol-3-yl]ethanol
2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol Identification Summary Frequently Asked Questions (FAQs)
| What’s the 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol formula? |
|---|
| C19H24N2O |
| How many atoms and what elements are included in the 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol molecule? |
| 46 atom(s) - 24 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol structure? |
| 49 bond(s) - 25 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 Pyrrole(s) |
| What’s the 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol’s molar mass? |
| 296.40666 g/mol |
| What’s the SMILES structure of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol? |
| OCCc1c([nH]c2ccccc12)C3CC4CCN3CC4C=C |
| What’s the InChI code of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol? |
| InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14+,18+/m0/s1 |
| What’s the InChIKey format of 2-{2-[(1R,2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl}ethan-1-ol? |
| YAUKSCGKZYUZRH-PMUMKWKESA-N |
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