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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:30734 - nicotine
N
1'
-oxide
Main
ChEBI Ontology
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ChEBI Name
nicotine
N
1'
-oxide
ChEBI ID
CHEBI:30734
ChEBI ASCII Name
nicotine N(1')-oxide
Definition
A tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H14N2O
Net Charge
0
Average Mass
178.231
Monoisotopic Mass
178.11061
InChI
InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKey
RWFBQHICRCUQJJ-UHFFFAOYSA-N
SMILES
C=1(C=NC=CC1)C2[N+](CCC2)([O-])C
ChEBI Ontology
Outgoing
nicotine
N
1'
-oxide (
CHEBI:30734
)
has parent hydride
nicotine (
CHEBI:18723
)
nicotine
N
1'
-oxide (
CHEBI:30734
)
is a
pyridines (
CHEBI:26421
)
nicotine
N
1'
-oxide (
CHEBI:30734
)
is a
pyrrolidine
N
-oxides (
CHEBI:46772
)
Incoming
(
S
)-nicotine
N
1'
-oxide (
CHEBI:142659
)
is a
nicotine
N
1'
-oxide (
CHEBI:30734
)
IUPAC Name
1-methyl-2-(3-pyridyl)pyrrolidine 1-oxide
Synonyms
Sources
1-methyl-2-(3-pyridyl)-2,3,4,5-tetrahydropyrrol-1-olate
ChEBI
3-(1-methyl-1-oxidopyrrolidin-2-yl)pyridine
ChEBI
Nicotine 1-N-oxide
ChemIDplus
Nicotine-1'-N-oxide
ChemIDplus
Registry Number
Type
Source
63551-14-4
CAS Registry Number
ChemIDplus
Last Modified
07 December 2018