(5R)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one

• ChemBase ID: 119380
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: N1C(=O)CC[C@H]1[C@@H]1NC(=O)CC1
• Canonical SMILES: O=C1CC[C@@H](N1)[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C8H12N2O2/c11-7-3-1-5(9-7)6-2-4-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)/t5-,6+
• InChIKey: IQUVNPFDKLVJAN-OLQVQODUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
• IUPAC Traditional name: (5R)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
• Synonyms: (2S,2'R)-[2,2'-bipyrrolidine]-5,5'-dione

Database IDs

• PubChem SID: 162107555
• PubChem CID: 7295973

CALCULATED PROPERTIES

• Acid pKa: 13.953244
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2112099
• LogD (pH = 7.4): -1.2112095
• Log P: -1.2112094
• Molar Refractivity: 41.8872 cm^3
• Polarizability: 16.48656 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds