2-methylcyclopropane-1-carbohydrazide

• ChemBase ID: 271867
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1(CC1C)C(=O)NN
• Canonical SMILES: CC1CC1C(=O)NN
• InChI: InChI=1S/C5H10N2O/c1-3-2-4(3)5(8)7-6/h3-4H,2,6H2,1H3,(H,7,8)
• InChIKey: YJBPEAHLEMYMEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopropane-1-carbohydrazide
• IUPAC Traditional name: 2-methylcyclopropane-1-carbohydrazide
• Synonyms: 2-methylcyclopropane-1-carbohydrazide

Database IDs

• MDL Number: MFCD01722433
• PubChem SID: 164327777
• PubChem CID: 44929

CALCULATED PROPERTIES

• Acid pKa: 13.088772
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.2624613
• LogD (pH = 7.4): -0.2599813
• Log P: -0.2599487
• Molar Refractivity: 30.8978 cm^3
• Polarizability: 11.862813 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): -0.521

Product Information

• Purity: 95%