Nicotine-n-oxide

Nicotine-n-oxide
Compound Structure:
Synonyms: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxidopyridin-1-ium; Nicotine N-oxide; (2'S)-NICOTINE 1-OXIDE; Nicotine-N-oxide; NICOTINE, 1-OXIDE; (S)-nicotine 1-N-oxide; (S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxide; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide,
Compound ID: NMPC-1312
PubChem ID:

211457
Molecular Formula: C10H14N2O
Canonical SMILES: CN1CCCC1C2=C[N+](=CC=C2)[O-]
InChIKey: YHXKVHQFWVYXIC-JTQLQIEISA-N
About the compound:

(S)-nicotine 1-N-oxide is a member of the class of pyridine N-oxides obtained by oxidation of the pyridine nitrogen of (S)-nicotine. It is a member of pyridine N-oxides and a N-alkylpyrrolidine. It is functionally related to a (S)-nicotine.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

178.23 g/mol

XLogP3

0.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

178.110613074 g/mol

Monoisotopic Mass

178.110613074 g/mol

Topological Polar Surface Area

28.7Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

174

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Nicotiana tabacum
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