1-(furan-2-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 91526
• Molecular Formular: C9H7NO3
• Molecular Mass: 177.15678
• Monoisotopic Mass: 177.04259309
• SMILES: o1cccc1CN1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1Cc1ccco1
• InChI: InChI=1S/C9H7NO3/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2
• InChIKey: LGSUUIGEQAOVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(furan-2-ylmethyl)pyrrole-2,5-dione
• Synonyms: N-(2-Furylmethyl)maleimide

Database IDs

• CAS Number: 32620-61-4
• MDL Number: MFCD00022582
• PubChem SID: 162078225
• PubChem CID: 292901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3724929
• LogD (pH = 7.4): 0.3724929
• Log P: 0.3724929
• Molar Refractivity: 45.2516 cm^3
• Polarizability: 16.775206 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant