2-(2-oxopyrrolidin-1-yl)acetohydrazide

• ChemBase ID: 234952
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: N1(C(=O)CCC1)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1CCCC1=O
• InChI: InChI=1S/C6H11N3O2/c7-8-5(10)4-9-3-1-2-6(9)11/h1-4,7H2,(H,8,10)
• InChIKey: JCCPDFVXLPOKHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxopyrrolidin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-oxopyrrolidin-1-yl)acetohydrazide
• Synonyms: 2-(2-oxopyrrolidin-1-yl)acetohydrazide

Database IDs

• CAS Number: 59776-89-5
• MDL Number: MFCD06254111
• PubChem SID: 164290862
• PubChem CID: 3565593

CALCULATED PROPERTIES

• Acid pKa: 12.521536
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9823167
• LogD (pH = 7.4): -1.9813832
• Log P: -1.9813682
• Molar Refractivity: 39.5455 cm^3
• Polarizability: 14.9826975 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -1.529

Product Information

• Purity: 95%