cyclopropene

• ChemBase ID: 126820
• Molecular Formular: C3H4
• Molecular Mass: 40.06386
• Monoisotopic Mass: 40.03130013
• SMILES: C1C=C1
• Canonical SMILES: C1=CC1
• InChI: InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2
• InChIKey: OOXWYYGXTJLWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropene
• IUPAC Systematic name: Cyclopropene
• IUPAC Traditional name: cyclopropene
• Synonyms: Cyclopropene

Database IDs

• CAS Number: 2781-85-3
• PubChem SID: 162221147
• PubChem CID: 123173
• Chemspider ID: 109788
• MeSH Name: cyclopropene
• Wikipedia Title: Cyclopropene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.97178435
• LogD (pH = 7.4): 0.97178435
• Log P: 0.97178435
• Molar Refractivity: 14.9196 cm^3
• Polarizability: 5.3136067 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -36°C
• Heat Capacity: 51.9-53.9 J K^-1 mol^-1
• Std enthalpy of combustion: -2032--2026 kJ mol^-1