Formula of Naphthalen-1-yl(pyrrolidin-1-yl)methanone (C15H15NO)
Identification of Naphthalen-1-yl(pyrrolidin-1-yl)methanone Chemical Compound
Chemical Formula | C15H15NO |
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Molecular Weight | 225.2857 g/mol |
IUPAC Name | 1-[(naphthalen-1-yl)carbonyl]pyrrolidine |
SMILES String | O=C(N1CCCC1)c2cccc3ccccc23 |
InChI | InChI=1S/C15H15NO/c17-15(16-10-3-4-11-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2 |
InChIKey | JLHQCKJENDPJRP-UHFFFAOYSA-N |
Chemical Formula Description
The naphthalen-1-yl(pyrrolidin-1-yl)methanone molecule contains a total of 32 atom(s). There are 15 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s). A chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone can therefore be written as:
C15H15NO
The chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying Naphthalen-1-yl(pyrrolidin-1-yl)methanone Molecule
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Structure Data File (SDF/MOL File) of naphthalen-1-yl(pyrrolidin-1-yl)methanone
The structure data file (SDF/MOL File) of naphthalen-1-yl(pyrrolidin-1-yl)methanone is available for download in the SDF page of naphthalen-1-yl(pyrrolidin-1-yl)methanone providing the information about the atoms, bonds, connectivity and coordinates of naphthalen-1-yl(pyrrolidin-1-yl)methanone, which is not completely available in the chemical formula representation. The naphthalen-1-yl(pyrrolidin-1-yl)methanone structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of naphthalen-1-yl(pyrrolidin-1-yl)methanone
The chemical structure image of naphthalen-1-yl(pyrrolidin-1-yl)methanone is available in chemical structure page of naphthalen-1-yl(pyrrolidin-1-yl)methanone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone and the chemical bonds that hold the atoms together.
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Molecular weight of naphthalen-1-yl(pyrrolidin-1-yl)methanone
The molecular weight of naphthalen-1-yl(pyrrolidin-1-yl)methanone is available in molecular weight page of naphthalen-1-yl(pyrrolidin-1-yl)methanone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone.
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InChI (IUPAC International Chemical Identifier) information of naphthalen-1-yl(pyrrolidin-1-yl)methanone
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of naphthalen-1-yl(pyrrolidin-1-yl)methanone is:
InChI=1S/C15H15NO/c17-15(16-10-3-4-11-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2
It can provide a standard way to encode the molecular information of naphthalen-1-yl(pyrrolidin-1-yl)methanone 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 naphthalen-1-yl(pyrrolidin-1-yl)methanone is:
InChIKey=JLHQCKJENDPJRP-UHFFFAOYSA-N
The InChIKey may allow easier web searches for naphthalen-1-yl(pyrrolidin-1-yl)methanone, but it needs to be linked to the full InChI to get back to the original structure of the naphthalen-1-yl(pyrrolidin-1-yl)methanone since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of naphthalen-1-yl(pyrrolidin-1-yl)methanone
The naphthalen-1-yl(pyrrolidin-1-yl)methanone compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of naphthalen-1-yl(pyrrolidin-1-yl)methanone including the registry numbers is given below, if available:
- AG-690/09693019
- ABA-9502214
- ZX-AH003490
- (1-Naphthyl)pyrrolizinoketone
- 1-(1-naphthoyl)pyrrolidine
- naphthalen-1-yl(pyrrolidin-1-yl)methanone
Naphthalen-1-yl(pyrrolidin-1-yl)methanone Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone? |
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C15H15NO |
How many atoms and what are they in the naphthalen-1-yl(pyrrolidin-1-yl)methanone structure? |
32 atom(s) - 15 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what are they in the naphthalen-1-yl(pyrrolidin-1-yl)methanone structure? |
34 bond(s) - 19 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amide(s) (aromatic), and 1 Pyrrolidine(s) |
What’s the molecular weight of naphthalen-1-yl(pyrrolidin-1-yl)methanone? |
225.2857 g/mol |
What’s the SMILES string of naphthalen-1-yl(pyrrolidin-1-yl)methanone? |
O=C(N1CCCC1)c2cccc3ccccc23 |
What’s the InChI of naphthalen-1-yl(pyrrolidin-1-yl)methanone? |
InChI=1S/C15H15NO/c17-15(16-10-3-4-11-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11H2 |
What’s the InChIKey of naphthalen-1-yl(pyrrolidin-1-yl)methanone? |
JLHQCKJENDPJRP-UHFFFAOYSA-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).