4,4-dimethyl-5-oxidanylidene-pentanenitrile; propan-2-one

Systemtic Name: 4,4-dimethyl-5-oxidanylidene-pentanenitrile; propan-2-one Openeye Name: acetone; 4,4-dimethyl-5-oxo-pentanenitrile CAS Name: 4,4-dimethyl-5-oxopentanenitrile; 2-propanone IUPAC Name: 4,4-dimethyl-5-oxopentanenitrile; propan-2-one Traditional Name: acetone; 5-keto-4,4-dimethyl-valeronitrile Formula: C10H17NO2 MolecularWeight: 183.24748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.CC(C)(CCC#N)C=O

Isomeric SMILES

CC(=O)C.CC(C)(CCC#N)C=O

InChI

InChI=1S/C7H11NO.C3H6O/c1-7(2,6-9)4-3-5-8;1-3(2)4/h6H,3-4H2,1-2H3;1-2H3