3-cyclopropylprop-2-enenitrile

• ChemBase ID: 247349
• Molecular Formular: C6H7N
• Molecular Mass: 93.12648
• Monoisotopic Mass: 93.05784923
• SMILES: N#C/C=C/C1CC1
• Canonical SMILES: N#C/C=C/C1CC1
• InChI: InChI=1S/C6H7N/c7-5-1-2-6-3-4-6/h1-2,6H,3-4H2
• InChIKey: AHJKTMQDOYBLSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylprop-2-enenitrile
• IUPAC Traditional name: 3-cyclopropylprop-2-enenitrile
• Synonyms: 3-cyclopropylprop-2-enenitrile

Database IDs

• MDL Number: MFCD16707059
• PubChem SID: 164303259
• PubChem CID: 59420140

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4120597
• LogD (pH = 7.4): 1.4120597
• Log P: 1.4120597
• Molar Refractivity: 29.2916 cm^3
• Polarizability: 10.653728 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.264

Product Information

• Purity: 95%