2-[(1R,2S,5R)-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl]propanedinitrile

Systemtic Name: 2-[(1R,2S,5R)-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl]propanedinitrile Openeye Name: 2-[(1R,2S,5R)-5-isopropenyl-2-methyl-3-oxo-cyclohexyl]propanedinitrile CAS Name: 2-[(1R,2S,5R)-2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl]propanedinitrile IUPAC Name: 2-[(1R,2S,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl]propanedinitrile Traditional Name: 2-[(1R,2S,5R)-5-isopropenyl-3-keto-2-methyl-cyclohexyl]malononitrile Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1=O)C(=C)C)C(C#N)C#N

Isomeric SMILES

C[C@H]1[C@H](C[C@H](CC1=O)C(=C)C)C(C#N)C#N

InChI

InChI=1S/C13H16N2O/c1-8(2)10-4-12(11(6-14)7-15)9(3)13(16)5-10/h9-12H,1,4-5H2,2-3H3/t9-,10+,12-/m0/s1