2-methylcyclopropane-1-carbonitrile

• ChemBase ID: 282712
• Molecular Formular: C5H7N
• Molecular Mass: 81.11578
• Monoisotopic Mass: 81.05784923
• SMILES: C1(CC1C)C#N
• Canonical SMILES: CC1CC1C#N
• InChI: InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3
• InChIKey: MWIZMXFPLVYCEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17276633
• PubChem SID: 180668243
• PubChem CID: 316890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.90141845
• LogD (pH = 7.4): 0.90141845
• Log P: 0.90141845
• Molar Refractivity: 23.5708 cm^3
• Polarizability: 9.050953 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.709

Product Information

• Purity: 95%