2-phenylcyclopropane-1-carbohydrazide

• ChemBase ID: 27117
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: C1(C(C1)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)C1CC1c1ccccc1
• InChI: InChI=1S/C10H12N2O/c11-12-10(13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)
• InChIKey: LVPLGMIOSVEITG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclopropane-1-carbohydrazide
• IUPAC Traditional name: 2-phenylcyclopropane-1-carbohydrazide
• Synonyms: 2-Phenylcyclopropanecarbohydrazide

Database IDs

• MDL Number: MFCD00462672
• PubChem SID: 160990424
• PubChem CID: 2826792

CALCULATED PROPERTIES

• Acid pKa: 12.977352
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8713461
• LogD (pH = 7.4): 0.8738225
• Log P: 0.8738553
• Molar Refractivity: 50.9928 cm^3
• Polarizability: 19.597387 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false