(Z)-(methyl N-cyanoethenecarboximidate)

• ChemBase ID: 259953
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: C(#N)/N=C(\OC)/C
• Canonical SMILES: C/C(=N/C#N)/OC
• InChI: InChI=1S/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3/b6-4-
• InChIKey: LILTZUFNZDRURN-XQRVVYSFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-(methyl N-cyanoethenecarboximidate)
• IUPAC Traditional name: (Z)-(methyl N-cyanoethenecarboximidate)
• Synonyms: methyl N-cyanoethanecarboximidate

Database IDs

• MDL Number: MFCD01752867
• PubChem SID: 164315863
• PubChem CID: 93008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.10633575
• LogD (pH = 7.4): 0.10633575
• Log P: 0.10633575
• Molar Refractivity: 25.5944 cm^3
• Polarizability: 9.402702 Å^3
• Polar Surface Area: 45.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.113

Product Information

• Purity: 95%