2-bromo-1-methylcyclopropane-1-carbohydrazide

• ChemBase ID: 120366
• Molecular Formular: C5H9BrN2O
• Molecular Mass: 193.04176
• Monoisotopic Mass: 191.98982492
• SMILES: C1(CC1Br)(C(=O)NN)C
• Canonical SMILES: CC1(CC1Br)C(=O)NN
• InChI: InChI=1S/C5H9BrN2O/c1-5(2-3(5)6)4(9)8-7/h3H,2,7H2,1H3,(H,8,9)
• InChIKey: DWPIXGGUBDLYIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162214719
• PubChem CID: 2771865

CALCULATED PROPERTIES

• Acid pKa: 11.69351
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.31585193
• LogD (pH = 7.4): 0.31827053
• Log P: 0.31832257
• Molar Refractivity: 38.4002 cm^3
• Polarizability: 14.766484 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true