5-hydroxypyrrolidin-2-one

• ChemBase ID: 305452
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: C1CC(NC1=O)O
• Canonical SMILES: OC1CCC(=O)N1
• InChI: InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7)
• InChIKey: WBGWUCXEMSSZJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxypyrrolidin-2-one
• IUPAC Traditional name: 5-hydroxypyrrolidin-2-one
• Synonyms: 5-Hydroxy-2-pyrrolidinone

Database IDs

• CAS Number: 62312-55-4

CALCULATED PROPERTIES

• Acid pKa: 10.825179
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1725365
• LogD (pH = 7.4): -1.1726793
• Log P: -1.1725347
• Molar Refractivity: 23.3982 cm^3
• Polarizability: 9.2818985 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder