1-[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-methylphenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 112764
• Molecular Formular: C15H10N2O4
• Molecular Mass: 282.2509
• Monoisotopic Mass: 282.06405681
• SMILES: Cc1ccc(cc1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(c(c1)N1C(=O)C=CC1=O)C
• InChI: InChI=1S/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3
• InChIKey: FJKKJQRXSPFNPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-methylphenyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[5-(2,5-dioxopyrrol-1-yl)-2-methylphenyl]pyrrole-2,5-dione
• Synonyms: TOLUENE-2,4-DIMALEIMIDE

Database IDs

• CAS Number: 6422-83-9
• PubChem SID: 162097973
• PubChem CID: 80893

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0316362
• LogD (pH = 7.4): 1.0316387
• Log P: 1.0316387
• Molar Refractivity: 75.0346 cm^3
• Polarizability: 27.471596 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225691

MP Biomedicals Rare Chemical collection