(E)-4-[(1S,2R)-2-(2-oxidanylidenepropyl)cyclopentyl]but-3-en-2-one

Systemtic Name: (E)-4-[(1S,2R)-2-(2-oxidanylidenepropyl)cyclopentyl]but-3-en-2-one Openeye Name: (E)-4-[(1S,2R)-2-acetonylcyclopentyl]but-3-en-2-one CAS Name: (E)-4-[(1S,2R)-2-(2-oxopropyl)cyclopentyl]-3-buten-2-one IUPAC Name: (E)-4-[(1S,2R)-2-(2-oxopropyl)cyclopentyl]but-3-en-2-one Traditional Name: (E)-4-[(1S,2R)-2-acetonylcyclopentyl]but-3-en-2-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCCC1C=CC(=O)C

Isomeric SMILES

CC(=O)C[C@H]1CCC[C@@H]1/C=C/C(=O)C

InChI

InChI=1S/C12H18O2/c1-9(13)6-7-11-4-3-5-12(11)8-10(2)14/h6-7,11-12H,3-5,8H2,1-2H3/b7-6+/t11-,12-/m1/s1