N-[4-(hydrazinecarbonyl)phenyl]cyclopropanecarboxamide

• ChemBase ID: 21643
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: C(=O)(C1CC1)Nc1ccc(C(=O)NN)cc1
• Canonical SMILES: NNC(=O)c1ccc(cc1)NC(=O)C1CC1
• InChI: InChI=1S/C11H13N3O2/c12-14-11(16)8-3-5-9(6-4-8)13-10(15)7-1-2-7/h3-7H,1-2,12H2,(H,13,15)(H,14,16)
• InChIKey: VPUORNRQAAQSNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(hydrazinecarbonyl)phenyl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[4-(hydrazinecarbonyl)phenyl]cyclopropanecarboxamide
• Synonyms: N-[4-(Hydrazinocarbonyl)phenyl]-cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD03109882
• PubChem SID: 160984950
• PubChem CID: 2106429

CALCULATED PROPERTIES

• Acid pKa: 13.372646
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.5440195
• LogD (pH = 7.4): 0.54490525
• Log P: 0.544917
• Molar Refractivity: 61.8827 cm^3
• Polarizability: 22.441216 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false