3-methylidenecyclobutane-1-carbonyl chloride

• ChemBase ID: 90984
• Molecular Formular: C6H7ClO
• Molecular Mass: 130.57218
• Monoisotopic Mass: 130.01854252
• SMILES: O=C(C1CC(=C)C1)Cl
• Canonical SMILES: ClC(=O)C1CC(=C)C1
• InChI: InChI=1S/C6H7ClO/c1-4-2-5(3-4)6(7)8/h5H,1-3H2
• InChIKey: DCQFBXFATWSKAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylidenecyclobutane-1-carbonyl chloride
• IUPAC Traditional name: 3-methylidenecyclobutane-1-carbonyl chloride
• Synonyms: 3-Methylenecyclobutanecarbonyl chloride 95%

Database IDs

• MDL Number: MFCD08235240
• PubChem SID: 162077688
• PubChem CID: 13813822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4737221
• LogD (pH = 7.4): 1.4737221
• Log P: 1.4737221
• Molar Refractivity: 32.8285 cm^3
• Polarizability: 12.766647 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true