SDF/Mol File of Naphthalen-1-yl(pyrrolidin-1-yl)methanone (C15H15NO)

Structure Data File (SDF/MOL File) Description

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

• Chemical structure of naphthalen-1-yl(pyrrolidin-1-yl)methanone

  By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone

  The chemical formula of naphthalen-1-yl(pyrrolidin-1-yl)methanone is given in chemical formula page of naphthalen-1-yl(pyrrolidin-1-yl)methanone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of naphthalen-1-yl(pyrrolidin-1-yl)methanone

  An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of naphthalen-1-yl(pyrrolidin-1-yl)methanone including the registry numbers are listed below, if available:

  • AG-690/09693019
  • ABA-9502214
  • ZX-AH003490
  • (1-Naphthyl)pyrrolizinoketone
  • 1-(1-naphthoyl)pyrrolidine
  • naphthalen-1-yl(pyrrolidin-1-yl)methanone

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Naphthalen-1-yl(pyrrolidin-1-yl)methanone Identification Summary Frequently Asked Questions (FAQs)

What’s the naphthalen-1-yl(pyrrolidin-1-yl)methanone formula?
C15H15NO
How many atoms and what elements are included in the naphthalen-1-yl(pyrrolidin-1-yl)methanone molecule?
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 kind of bonds are 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 naphthalen-1-yl(pyrrolidin-1-yl)methanone’s molar mass?
225.2857 g/mol
What’s the SMILES structure of naphthalen-1-yl(pyrrolidin-1-yl)methanone?
O=C(N1CCCC1)c2cccc3ccccc23
What’s the InChI code 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 format of naphthalen-1-yl(pyrrolidin-1-yl)methanone?
JLHQCKJENDPJRP-UHFFFAOYSA-N

32 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).