(1S,2S)-2-phenylcyclopropane-1-carbohydrazide

• ChemBase ID: 120363
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: [C@H]1([C@H](C1)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)[C@H]1C[C@@H]1c1ccccc1
• 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)/t8-,9+/m1/s1
• InChIKey: LVPLGMIOSVEITG-BDAKNGLRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-2-phenylcyclopropane-1-carbohydrazide
• IUPAC Traditional name: (1S,2S)-2-phenylcyclopropane-1-carbohydrazide
• Synonyms: (1S,2S)-2-phenylcyclopropanecarbohydrazide

Database IDs

• PubChem SID: 162214716
• PubChem CID: 778513

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