1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 91535
• Molecular Formular: C14H9NO2
• Molecular Mass: 223.22676
• Monoisotopic Mass: 223.06332853
• SMILES: N1(c2ccc3c(c2)cccc3)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H9NO2/c16-13-7-8-14(17)15(13)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
• InChIKey: ISPTVBCAVIHHEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(naphthalen-2-yl)pyrrole-2,5-dione
• Synonyms: N-(2-Naphthalenyl)maleimide; 1-Naphthalen-2-yl-pyrrole-2,5-dione

Database IDs

• CAS Number: 6637-45-2
• MDL Number: MFCD00443960
• PubChem SID: 162078234
• PubChem CID: 243251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2352076
• LogD (pH = 7.4): 2.2352083
• Log P: 2.2352083
• Molar Refractivity: 64.4759 cm^3
• Polarizability: 25.508982 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 2.323

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%