1-[3-(furan-2-yl)-4-phenylbutyl]pyrrolidine-2,5-dione

• ChemBase ID: 196541
• Molecular Formular: C18H19NO3
• Molecular Mass: 297.34836
• Monoisotopic Mass: 297.13649347
• SMILES: N1(C(=O)CCC1=O)CCC(c1occc1)Cc1ccccc1
• Canonical SMILES: O=C1CCC(=O)N1CCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C18H19NO3/c20-17-8-9-18(21)19(17)11-10-15(16-7-4-12-22-16)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
• InChIKey: AVODPXAQEYUXGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(furan-2-yl)-4-phenylbutyl]pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-[3-(furan-2-yl)-4-phenylbutyl]pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164252451
• PubChem CID: 5177802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.535592
• LogD (pH = 7.4): 2.535592
• Log P: 2.535592
• Molar Refractivity: 82.8592 cm^3
• Polarizability: 31.994736 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds