1-methyl-5-oxopyrrolidine-3-carbohydrazide

• ChemBase ID: 308144
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: C1(C(=O)NN)CN(C(=O)C1)C
• Canonical SMILES: NNC(=O)C1CC(=O)N(C1)C
• InChI: InChI=1S/C6H11N3O2/c1-9-3-4(2-5(9)10)6(11)8-7/h4H,2-3,7H2,1H3,(H,8,11)
• InChIKey: UMNUBNWLKPHIMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-oxopyrrolidine-3-carbohydrazide
• IUPAC Traditional name: 1-methyl-5-oxopyrrolidine-3-carbohydrazide
• Synonyms: 1-methyl-5-oxo-3-pyrrolidinecarbohydrazide

Database IDs

• CAS Number: 959240-80-3
• MDL Number: MFCD09864558

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0819535
• LogD (pH = 7.4): -2.0807176
• Log P: -2.0806997
• Molar Refractivity: 39.5468 cm^3
• Polarizability: 14.9826975 Å^3
• Polar Surface Area: 75.43 Å^2