3-aminopyrrolidin-2-one

• ChemBase ID: 288289
• Molecular Formular: C4H8N2O
• Molecular Mass: 100.11912
• Monoisotopic Mass: 100.06366289
• SMILES: O=C1NCCC1N
• Canonical SMILES: O=C1NCCC1N
• InChI: InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)
• InChIKey: YNDAMDVOGKACTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyrrolidin-2-one
• IUPAC Traditional name: 3-aminopyrrolidin-2-one
• Synonyms: 3-Aminopyrrolidin-2-one; 3-amino-2-pyrrolidinone

Database IDs

• CAS Number: 2483-65-0
• MDL Number: MFCD08274920
• PubChem SID: 180673820
• PubChem CID: 10486805

CALCULATED PROPERTIES

• Acid pKa: 14.424175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2925467
• LogD (pH = 7.4): -2.6696272
• Log P: -1.6303511
• Molar Refractivity: 25.364 cm^3
• Polarizability: 10.127871 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%