hexahydro-1H-pyrrolo[1,2-a]imidazolidine-2,5-dione

• ChemBase ID: 127099
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: O=C1NC2N(C(=O)CC2)C1
• Canonical SMILES: O=C1CN2C(N1)CCC2=O
• InChI: InChI=1S/C6H8N2O2/c9-5-3-8-4(7-5)1-2-6(8)10/h4H,1-3H2,(H,7,9)
• InChIKey: XTXXOHPHLNROBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolo[1,2-a]imidazolidine-2,5-dione
• IUPAC Traditional name: dimiracetam
• Synonyms: Dimiracetam

Database IDs

• CAS Number: 126100-97-8
• PubChem SID: 162221422
• PubChem CID: 65955
• CHEMBL: 337612
• Chemspider ID: 59358
• Wikipedia Title: Dimiracetam

CALCULATED PROPERTIES

• Acid pKa: 11.155103
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5355656
• LogD (pH = 7.4): -1.5356324
• Log P: -1.5355648
• Molar Refractivity: 32.8371 cm^3
• Polarizability: 12.846111 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true