1-(4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 61253
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: N1(C(=O)C=CC1=O)c1ccc(cc1)C
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)C
• InChI: InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
• InChIKey: KCFXNGDHQPMIAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: maleimide, N-p-tolyl-
• Synonyms: N-(p-TOLYL)MALEIMIDE; N-(4-Methylphenyl)maleimide; 1-(4-Methylphenyl)-1H-pyrrole-2,5-dione; 1-p-Tolyl-pyrrole-2,5-dione

Database IDs

• CAS Number: 1631-28-3
• MDL Number: MFCD00022581
• PubChem SID: 162026994
• PubChem CID: 15399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.759152
• LogD (pH = 7.4): 1.759153
• Log P: 1.759153
• Molar Refractivity: 53.0669 cm^3
• Polarizability: 19.751724 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.648

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05225706

MP Biomedicals Rare Chemical collection