(5Z)-5-(2-phenylhydrazin-1-ylidene)-2,5-dihydrofuran-2-one

• ChemBase ID: 120362
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: O1/C(=N\Nc2ccccc2)/C=CC1=O
• Canonical SMILES: O=C1C=C/C(=N/Nc2ccccc2)/O1
• InChI: InChI=1S/C10H8N2O2/c13-10-7-6-9(14-10)12-11-8-4-2-1-3-5-8/h1-7,11H/b12-9-
• InChIKey: LWDANRANEIDHTJ-XFXZXTDPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-(2-phenylhydrazin-1-ylidene)-2,5-dihydrofuran-2-one
• IUPAC Traditional name: (5Z)-5-(2-phenylhydrazin-1-ylidene)furan-2-one
• Synonyms: (Z)-5-(2-phenylhydrazono)furan-2(5H)-one

Database IDs

• PubChem SID: 162214715
• PubChem CID: 5417855

CALCULATED PROPERTIES

• Acid pKa: 14.216627
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6744163
• LogD (pH = 7.4): 2.6747448
• Log P: 2.674789
• Molar Refractivity: 53.1393 cm^3
• Polarizability: 19.355787 Å^3
• Polar Surface Area: 50.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true