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

• ChemBase ID: 61263
• Molecular Formular: C10H6N2O4
• Molecular Mass: 218.16564
• Monoisotopic Mass: 218.03275668
• SMILES: N1(C(=O)C=CC1=O)c1ccc([N+](=O)[O-])cc1
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-1-3-8(4-2-7)12(15)16/h1-6H
• InChIKey: CVKDEEISKBRPEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4-nitrophenyl)pyrrole-2,5-dione
• Synonyms: N-(4-nitrophenyl)maleimide; (4-NITROPHENYL) MALEIMIDE; 1-(4-Nitrophenyl)-1H-pyrrole-2,5-dione

Database IDs

• CAS Number: 4338-06-1
• MDL Number: MFCD00022576
• PubChem SID: 162027004
• PubChem CID: 236787

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.185715
• LogD (pH = 7.4): 1.1857158
• Log P: 1.1857158
• Molar Refractivity: 55.3504 cm^3
• Polarizability: 19.957777 Å^3
• Polar Surface Area: 83.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

DETAILS

MP Biomedicals - 05225412

MP Biomedicals Rare Chemical collection