2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclopropyl]ethanenitrile

Systemtic Name: 2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclopropyl]ethanenitrile Openeye Name: 2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile CAS Name: 2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile IUPAC Name: 2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile Traditional Name: 2-[(1R,3S)-3-[(E)-3-ketobut-1-enyl]-2,2-dimethyl-cyclopropyl]acetonitrile Formula: C11H15NO MolecularWeight: 177.2429

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(C1(C)C)CC#N

Isomeric SMILES

CC(=O)/C=C/[C@H]1[C@H](C1(C)C)CC#N

InChI

InChI=1S/C11H15NO/c1-8(13)4-5-9-10(6-7-12)11(9,2)3/h4-5,9-10H,6H2,1-3H3/b5-4+/t9-,10+/m0/s1