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

• ChemBase ID: 61269
• Molecular Formular: C10H6N2O4
• Molecular Mass: 218.16564
• Monoisotopic Mass: 218.03275668
• SMILES: N1(c2c([N+](=O)[O-])cccc2)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-3-1-2-4-8(7)12(15)16/h1-6H
• InChIKey: SCXAYTWCHGRQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2973-15-1
• MDL Number: MFCD00022565
• PubChem SID: 162027010
• PubChem CID: 18097

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1857152
• LogD (pH = 7.4): 1.1857158
• Log P: 1.1857158
• Molar Refractivity: 55.3504 cm^3
• Polarizability: 19.96095 Å^3
• Polar Surface Area: 83.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

MP Biomedicals - 05225404

MP Biomedicals Rare Chemical collection