(2-nitroethenyl)cyclopropane

• ChemBase ID: 284177
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: [N+](=O)(/C=C/C1CC1)[O-]
• Canonical SMILES: [O-][N+](=O)/C=C/C1CC1
• InChI: InChI=1S/C5H7NO2/c7-6(8)4-3-5-1-2-5/h3-5H,1-2H2
• InChIKey: IPCAGMYVDOFLFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-nitroethenyl)cyclopropane
• IUPAC Traditional name: (2-nitroethenyl)cyclopropane
• Synonyms: (2-nitroethenyl)cyclopropane

Database IDs

• MDL Number: MFCD16707055
• PubChem SID: 180669708
• PubChem CID: 14978083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1787059
• LogD (pH = 7.4): 1.1787059
• Log P: 1.1787059
• Molar Refractivity: 29.3007 cm^3
• Polarizability: 10.915841 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.306

Product Information

• Purity: 95%