3-methylidenecycloprop-1-ene

• ChemBase ID: 128364
• Molecular Formular: C4H4
• Molecular Mass: 52.07456
• Monoisotopic Mass: 52.03130013
• SMILES: C=C1C=C1
• Canonical SMILES: C=C1C=C1
• InChI: InChI=1S/C4H4/c1-4-2-3-4/h2-3H,1H2
• InChIKey: GOSMMPKSWSOPRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylidenecycloprop-1-ene
• IUPAC Traditional name: methylenecyclopropene
• Synonyms: Methylenecyclopropene

Database IDs

• CAS Number: 4095-06-1
• PubChem SID: 162222672
• PubChem CID: 138112
• Wikipedia Title: Methylenecyclopropene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9111576
• LogD (pH = 7.4): 0.9111576
• Log P: 0.9111576
• Molar Refractivity: 19.2457 cm^3
• Polarizability: 6.9361463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true