1-methyl-3-(methylamino)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 122788
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: N1(C(=O)C(=CC1=O)NC)C
• Canonical SMILES: CNC1=CC(=O)N(C1=O)C
• InChI: InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7H,1-2H3
• InChIKey: KIKRBHWZESXXIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(methylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-methyl-3-(methylamino)pyrrole-2,5-dione
• Synonyms: 1-methyl-3-(methylamino)-1H-pyrrole-2,5-dione

Database IDs

• PubChem SID: 162217141
• PubChem CID: 4512325

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1354922
• LogD (pH = 7.4): -1.1354852
• Log P: -1.135485
• Molar Refractivity: 36.6476 cm^3
• Polarizability: 13.29664 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true