(2Z)-2-(furan-2-ylmethylidene)cyclopentan-1-one

• ChemBase ID: 120381
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: C\1(=C/c2occc2)/C(=O)CCC1
• Canonical SMILES: O=C1CCC/C/1=C/c1ccco1
• InChI: InChI=1S/C10H10O2/c11-10-5-1-3-8(10)7-9-4-2-6-12-9/h2,4,6-7H,1,3,5H2/b8-7-
• InChIKey: PBWBXZYCANWCGJ-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(furan-2-ylmethylidene)cyclopentan-1-one
• IUPAC Traditional name: (2Z)-2-(furan-2-ylmethylidene)cyclopentan-1-one
• Synonyms: (Z)-2-(furan-2-ylmethylene)cyclopentanone

Database IDs

• PubChem SID: 162214734
• PubChem CID: 914902

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1583188
• LogD (pH = 7.4): 2.1583188
• Log P: 2.1583188
• Molar Refractivity: 46.1837 cm^3
• Polarizability: 17.418056 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true