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2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one

PropertiesImage
MNX_IDMNXM116289 Image of MNXM116289
referencechebi:173509
formulaC11H17NO
global charge0
mol weight179.263
InChIKeyBLYRSJVTGQJCQI-UHFFFAOYSA-N
InChIInChI=1S/C11H17NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3
SMILESCC1C(=O)C2=C(CCCCN2)C1C
MNX internals
InChI (mnx)InChI=1/C11H17NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h7-8,12H,3-6H2,1-2H3/t7?,8? Image of MNXM116289
SMILES (mnx)[CH3:1][CH:7]1[CH:8]([CH3:2])[C:11](=[O:13])[C:10]2=[C:9]1[CH2:5][CH2:3][CH2:4][CH2:6][NH:12]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173509
chebi:173509
BLYRSJVTGQJCQI-UHFFFAOYSA-N 		2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one
6,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[b]azepin-8-one
hmdb:HMDB0039684
BLYRSJVTGQJCQI-UHFFFAOYSA-N 		2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one
6,7-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-cyclopenta[b]azepin-8-one
6,7-dimethyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]azepin-8-one

hmdb:HMDB39684 		secondary/obsolete/fantasy identifier