F5F
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 |
Formula weight: | 247.333 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | SWIJWROLKBJDFO-LSCVPOLPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](C)[C@H]([C@@H](C1)C=C)C2=C(O)C=CNC2=O |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(C(C(C1)C=C)C2=C(C=CNC2=O)O)C |