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Formula of Naphthalen-1-yl(pyrrolidin-1-yl)methanone (C15H15NO)

Identification of Naphthalen-1-yl(pyrrolidin-1-yl)methanone Chemical Compound

2D chemical structure image of naphthalen-1-yl(pyrrolidin-1-yl)methanone
Chemical Formula C15H15NO
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.

3D chemical structure image of naphthalen-1-yl(pyrrolidin-1-yl)methanone
Ball-and-stick model of naphthalen-1-yl(pyrrolidin-1-yl)methanone

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Additional Information for Identifying Naphthalen-1-yl(pyrrolidin-1-yl)methanone Molecule


  • 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.

  • 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?
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

30 The contents of this page can freely be shared if cited as follows:
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).

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