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cotinine N-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM16855

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₀H₁₂N₂O₂

charge

mass

192.08988

reference

InChIKey

CIPULDKLIIVIER-VIFPVBQESA-N

InChI

InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

SMILES

CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89087 chebi:89087	cotinine N-oxide (-)-cotinine N-oxide (5S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone (5S)-1-methyl-5-(1-oxo-1lambda(5)-pyridin-3-yl)pyrrolidin-2-one (S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-Pyrrolidinone (S)-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone N-oxide 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate Cotinine-N-oxide
seed.compound:cpd24397 seedM:cpd24397	(5s)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone 2-pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (5S)- 2-pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)- cotinine N-oxide
hmdb:HMDB0001411	Cotinine N-oxide (-)-Cotinine N-oxide (5S)-1-Methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone (S)-1-Methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone N-oxide 3-[(2S)-1-Methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate 3-[(2S)-1-Methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olic acid 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate Cotinine-1-N-oxide Cotinine-N-oxide
metacyc.compound:CPD-3185 metacycM:CPD-3185	cotinine N-oxide (5s)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone 2-pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (5S)- 2-pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)-
hmdb:HMDB01411 seedM:M_cpd24397	secondary/obsolete/fantasy identifier