F5F

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Summary

Name:3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one
Formula:C15 H21 N O2
Formal charge:0
Molecular weight:247.333 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1
InChIKeyInChI1.03SWIJWROLKBJDFO-LSCVPOLPSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1C[C@H](C)[C@H]([C@@H](C1)C=C)C2=C(O)C=CNC2=O
SMILESCACTVS3.385C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C
SMILESOpenEye OEToolkits2.0.7CC1CC(C(C(C1)C=C)C2=C(C=CNC2=O)O)C
170172
PDB entries from 2020-10-21