SDF/Mol File of MFCD11226436 (C10H15NO)
Identification of MFCD11226436 Chemical Compound
| Chemical Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.2322 g/mol |
| IUPAC Name | N-[(1E,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]hydroxylamine |
| SMILES String | CC(=C)C1CC=C(C)C(C1)=NO |
| InChI | InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1 |
| InChIKey | JOAADLZWSUDMHZ-YHTNPHCKSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of MFCD11226436 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 MFCD11226436 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.
chemical table area
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying MFCD11226436 Molecule
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Chemical structure of MFCD11226436
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of MFCD11226436 is available in chemical structure page of MFCD11226436, 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 MFCD11226436
The molecular weight of MFCD11226436 is available in molecular weight page of MFCD11226436, 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 MFCD11226436
The chemical formula of MFCD11226436 is given in chemical formula page of MFCD11226436, 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 MFCD11226436
An alternative way of expressing structural information in text format is InChI. The full standard InChI of MFCD11226436 is:
InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1
It can provide a standard way to encode the molecular information of MFCD11226436 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 MFCD11226436 is:
InChIKey=JOAADLZWSUDMHZ-YHTNPHCKSA-N
The InChIKey may allow easier web searches for MFCD11226436, but it needs to be linked to the full InChI to get back to the original structure of the MFCD11226436 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of MFCD11226436
The MFCD11226436 compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of MFCD11226436 including the registry numbers are listed below, if available:
- (NE)-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
- MFCD11226436
MFCD11226436 Identification Summary Frequently Asked Questions (FAQs)
| What’s the MFCD11226436 formula? |
|---|
| C10H15NO |
| How many atoms and what elements are included in the MFCD11226436 molecule? |
| 27 atom(s) - 15 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the MFCD11226436 structure? |
| 27 bond(s) - 12 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 oxime(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the MFCD11226436’s molar mass? |
| 165.2322 g/mol |
| What’s the SMILES structure of MFCD11226436? |
| CC(=C)C1CC=C(C)C(C1)=NO |
| What’s the InChI code of MFCD11226436? |
| InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1 |
| What’s the InChIKey format of MFCD11226436? |
| JOAADLZWSUDMHZ-YHTNPHCKSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).