(E)-4-(3,3,5-trimethyl-2H-pyrrol-1-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3,3,5-trimethyl-2H-pyrrol-1-yl)but-3-en-2-one Openeye Name: (E)-4-(3,3,5-trimethyl-2H-pyrrol-1-yl)but-3-en-2-one CAS Name: (E)-4-(3,3,5-trimethyl-2H-pyrrol-1-yl)-3-buten-2-one IUPAC Name: (E)-4-(3,3,5-trimethyl-2H-pyrrol-1-yl)but-3-en-2-one Traditional Name: (E)-4-(2,4,4-trimethyl-2-pyrrolin-1-yl)but-3-en-2-one Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CN1C=CC(=O)C)(C)C

Isomeric SMILES

CC1=CC(CN1/C=C/C(=O)C)(C)C

InChI

InChI=1S/C11H17NO/c1-9-7-11(3,4)8-12(9)6-5-10(2)13/h5-7H,8H2,1-4H3/b6-5+