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cotinine N-oxide

PropertiesImage
MNX_IDMNXM16855 Image of MNXM16855
referencechebi:89087
formulaC10H12N2O2
global charge0
mol weight192.218
InChIKeyCIPULDKLIIVIER-VIFPVBQESA-N
InChIInChI=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
SMILESCN1C(=O)CC[C@H]1C1=C[N+]([O-])=CC=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM16855
SMILES (mnx)[CH3:1][N:11]1[C@H:9]([C:8]2=[CH:7][N+:12]([O-:14])=[CH:6][CH:2]=[CH:3]2)[CH2:4][CH2:5][C:10]1=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89087
chebi:89087
CIPULDKLIIVIER-VIFPVBQESA-N 		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
CIPULDKLIIVIER-VIFPVBQESA-N 		(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
CIPULDKLIIVIER-VIFPVBQESA-N 		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
CIPULDKLIIVIER-VIFPVBQESA-N 		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