2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbohydrazide

• ChemBase ID: 231149
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1(C(C1C(=O)NN)C=C(C)C)(C)C
• Canonical SMILES: NNC(=O)C1C(C1(C)C)C=C(C)C
• InChI: InChI=1S/C10H18N2O/c1-6(2)5-7-8(9(13)12-11)10(7,3)4/h5,7-8H,11H2,1-4H3,(H,12,13)
• InChIKey: ONNOJEVCFHFAQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbohydrazide
• IUPAC Traditional name: 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbohydrazide
• Synonyms: 2,2-Dimethyl-3-(2-methyl-propenyl)-cyclopropanecarboxylic acid hydrazide

Database IDs

• MDL Number: MFCD03964542
• PubChem SID: 164287059
• PubChem CID: 3866001

CALCULATED PROPERTIES

• Acid pKa: 13.331084
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0951905
• LogD (pH = 7.4): 1.0976623
• Log P: 1.0976945
• Molar Refractivity: 54.5221 cm^3
• Polarizability: 20.811844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 1.52

Product Information

• Purity: 95%