1-[3-(furan-2-yl)-3-phenylpropyl]pyrrolidine-2,5-dione

• ChemBase ID: 189320
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: N1(C(=O)CCC1=O)CCC(c1occc1)c1ccccc1
• Canonical SMILES: O=C1CCC(=O)N1CCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C17H17NO3/c19-16-8-9-17(20)18(16)11-10-14(15-7-4-12-21-15)13-5-2-1-3-6-13/h1-7,12,14H,8-11H2
• InChIKey: UFLORANFTMPHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(furan-2-yl)-3-phenylpropyl]pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-[3-(furan-2-yl)-3-phenylpropyl]pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164245230
• PubChem CID: 2928974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0910234
• LogD (pH = 7.4): 2.0910234
• Log P: 2.0910234
• Molar Refractivity: 78.2582 cm^3
• Polarizability: 30.228914 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds