1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 268726
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: N1(C(=O)C(=CC1=O)C)CC
• Canonical SMILES: CCN1C(=O)C=C(C1=O)C
• InChI: InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3
• InChIKey: NKHIHGVHWGKXMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: maleimide, N-ethyl-2-methyl-
• Synonyms: 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

Database IDs

• MDL Number: MFCD01716140
• PubChem SID: 164324636
• PubChem CID: 35753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34013158
• LogD (pH = 7.4): 0.34013158
• Log P: 0.34013158
• Molar Refractivity: 37.3538 cm^3
• Polarizability: 13.962659 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.868

Product Information

• Purity: 95%