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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:132572 - (
S
)-nicotine 1-
N
-oxide
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ChEBI Ontology
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ChEBI Name
(
S
)-nicotine 1-
N
-oxide
ChEBI ID
CHEBI:132572
ChEBI ASCII Name
(S)-nicotine 1-N-oxide
Definition
A member of the class of pyridine
N
-oxides obtained by oxidation of the pyridine nitrogen of (
S
)-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/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9/h2,4,7-8,10H,3,5-6H2,1H3/t10-/m0/s1
InChIKey
YHXKVHQFWVYXIC-JTQLQIEISA-N
SMILES
C=1C=C([C@]2(N(CCC2)C)[H])C=[N+](C1)[O-]
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-nicotine 1-
N
-oxide (
CHEBI:132572
)
has functional parent
(
S
)-nicotine (
CHEBI:17688
)
(
S
)-nicotine 1-
N
-oxide (
CHEBI:132572
)
is a
N
-alkylpyrrolidine (
CHEBI:46775
)
(
S
)-nicotine 1-
N
-oxide (
CHEBI:132572
)
is a
pyridine
N
-oxides (
CHEBI:38189
)
IUPAC Name
3-[(2
S
)-1-methylpyrrolidin-2-yl]-1-oxo-1λ
5
-pyridine
Synonyms
Sources
(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxide
ChemIDplus
(
S
)-nicotine
N
-oxide
ChEBI
Nicotine 1-N-oxide
ChemIDplus
nicotine
N
-oxide
ChEBI
Nicotine, 1-oxide
ChemIDplus
Registry Numbers
Types
Sources
2820-55-5
CAS Registry Number
NIST Chemistry WebBook
2820-55-5
CAS Registry Number
ChemIDplus
4673416
Beilstein Registry Number
ChemIDplus
7917
Reaxys Registry Number
Reaxys
957799
Reaxys Registry Number
Reaxys
Last Modified
15 July 2016