Molecule ID: 612456

IUPAC Name: 2-amino-4-cyclohex-3-en-1-yl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

Description: The molecule is a member of the class of chromenes that is 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene carrying additional amino, cyano and 3-cyclohexen-1-yl substituents at positions 2, 3 and 4 respectively. It is an enone, an enamine, an aliphatic nitrile, a cyclic ketone and a member of chromenes.

SMILES: CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1CC=CCC1

SELFIES: [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][Branch2][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][C][C][C][=C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C18H22N2O2/c1-18(2)8-13(21)16-14(9-18)22-17(20)12(10-19)15(16)11-6-4-3-5-7-11/h3-4,11,15H,5-9,20H2,1-2H3

Molecular Properties:
- Polar Surface Area: 76.1 Ų
- LogP: 3.1