N-Octanoylnornicotine structure

N-Octanoylnornicotine

1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one

Also Known As: N-Octanoylnornicotine|N-8nornic|N-octanoyl-nornicotine|N-n-Octanoylnornicotine|Pyrrolidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)-|2,3-dimethoxy-9,10-methylenedioxyberbine|1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one|pyrrolidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-,(s)-|1-[2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one|1-[(2S)-2-(3-Pyridinyl)-1-pyrrolidinyl]-1-octanone|1-Octanone, 1-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]-|1-[(2S)-2-(PYRIDIN-3-YL)PYRROLIDIN-1-YL]OCTAN-1-ONE

CAS: 50422-39-4
Molecular Formula C17H26N2O
Molecular Weight 274.2045 g/mol
LogP 3.7
Topological Polar Surface Area 33.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 7
Exact Mass 274.2045
Monoisotopic Mass 274.2045
Heavy Atoms 20
Complexity 293.0

Chemical Identifiers

CAS Number 50422-39-4
SMILES CCCCCCCC(=O)N1CCC[C@H]1C2=CN=CC=C2
InChIKey KEQBTQJDZSZAMQ-INIZCTEOSA-N

Product Overview

N-Octanoylnornicotine (CAS 50422-39-4), with molecular formula C17H26N2O and molecular weight 274.2045 g/mol. IUPAC: 1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one.

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