(4R)-1-(3,5-dimethylphenyl)-4-isocyanato-pyrrolidin-2-one

Systemtic Name: (4R)-1-(3,5-dimethylphenyl)-4-isocyanato-pyrrolidin-2-one Openeye Name: (4R)-1-(3,5-dimethylphenyl)-4-isocyanato-pyrrolidin-2-one CAS Name: (4R)-1-(3,5-dimethylphenyl)-4-isocyanato-2-pyrrolidinone IUPAC Name: (4R)-1-(3,5-dimethylphenyl)-4-isocyanatopyrrolidin-2-one Traditional Name: (4R)-1-(3,5-dimethylphenyl)-4-isocyanato-2-pyrrolidone Formula: C13H14N2O2 MolecularWeight: 230.26246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)N=C=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C[C@@H](CC2=O)N=C=O)C

InChI

InChI=1S/C13H14N2O2/c1-9-3-10(2)5-12(4-9)15-7-11(14-8-16)6-13(15)17/h3-5,11H,6-7H2,1-2H3/t11-/m1/s1