2-[(1S,6S)-6-ethanoylcyclohex-2-en-1-yl]ethanenitrile

Systemtic Name: 2-[(1S,6S)-6-ethanoylcyclohex-2-en-1-yl]ethanenitrile Openeye Name: 2-[(1S,6S)-6-acetylcyclohex-2-en-1-yl]acetonitrile CAS Name: 2-[(1S,6S)-6-acetyl-1-cyclohex-2-enyl]acetonitrile IUPAC Name: 2-[(1S,6S)-6-acetylcyclohex-2-en-1-yl]acetonitrile Traditional Name: 2-[(1S,6S)-6-acetylcyclohex-2-en-1-yl]acetonitrile Formula: C10H13NO MolecularWeight: 163.21632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC=CC1CC#N

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO/c1-8(12)10-5-3-2-4-9(10)6-7-11/h2,4,9-10H,3,5-6H2,1H3/t9-,10-/m1/s1