2-oxo-2-(pyrrolidin-1-yl)acetohydrazide

• ChemBase ID: 266487
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: C(=O)(C(=O)NN)N1CCCC1
• Canonical SMILES: NNC(=O)C(=O)N1CCCC1
• InChI: InChI=1S/C6H11N3O2/c7-8-5(10)6(11)9-3-1-2-4-9/h1-4,7H2,(H,8,10)
• InChIKey: PHVBXZUPXHYKEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01986065
• PubChem SID: 164322397
• PubChem CID: 3130065

CALCULATED PROPERTIES

• Acid pKa: 10.483879
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3212082
• LogD (pH = 7.4): -1.3212831
• Log P: -1.3209629
• Molar Refractivity: 39.9015 cm^3
• Polarizability: 14.9826975 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -1.622

Product Information

• Purity: 95%