hexahydro-1H-pyrrolizine-3,5-dione

• ChemBase ID: 129301
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: O=C1N2C(=O)CCC2CC1
• Canonical SMILES: O=C1CCC2N1C(=O)CC2
• InChI: InChI=1S/C7H9NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5H,1-4H2
• InChIKey: IEZDOKQWPWZVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolizine-3,5-dione
• IUPAC Traditional name: rolziracetam
• Synonyms: 2,6,7,8-tetrahydro-1''H''-pyrrolizine-3,5-dione; Rolziracetam

Database IDs

• CAS Number: 18356-28-0
• PubChem SID: 162223595
• PubChem CID: 71893
• CHEMBL: 51396
• Chemspider ID: 64906
• Unique Ingredient Identifier: RES9I0LGG5
• Wikipedia Title: Rolziracetam

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.30423096
• LogD (pH = 7.4): -0.30423096
• Log P: -0.30423096
• Molar Refractivity: 34.3893 cm^3
• Polarizability: 13.500887 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Unscheduled (US)