(E)-4-(2,5-dimethylpyrrol-1-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2,5-dimethylpyrrol-1-yl)but-3-en-2-one Openeye Name: (E)-4-(2,5-dimethylpyrrol-1-yl)but-3-en-2-one CAS Name: (E)-4-(2,5-dimethyl-1-pyrrolyl)-3-buten-2-one IUPAC Name: (E)-4-(2,5-dimethylpyrrol-1-yl)but-3-en-2-one Traditional Name: (E)-4-(2,5-dimethylpyrrol-1-yl)but-3-en-2-one Formula: C10H13NO MolecularWeight: 163.21632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C=CC(=O)C)C

Isomeric SMILES

CC1=CC=C(N1/C=C/C(=O)C)C

InChI

InChI=1S/C10H13NO/c1-8-4-5-9(2)11(8)7-6-10(3)12/h4-7H,1-3H3/b7-6+