1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-4-(methylamino)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 220975
• Molecular Formular: C11H11N3O4
• Molecular Mass: 249.22274
• Monoisotopic Mass: 249.07495585
• SMILES: C1(=C(C(=O)N(C1=O)C)NC)C1=CC(=O)N(C1=O)C
• Canonical SMILES: CNC1=C(C2=CC(=O)N(C2=O)C)C(=O)N(C1=O)C
• InChI: InChI=1S/C11H11N3O4/c1-12-8-7(10(17)14(3)11(8)18)5-4-6(15)13(2)9(5)16/h4,12H,1-3H3
• InChIKey: FWTVDHVGNMWLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-4-(methylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)-4-(methylamino)pyrrole-2,5-dione

Database IDs

• PubChem SID: 164276885
• PubChem CID: 16646116

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.1094744
• LogD (pH = 7.4): -2.1094742
• Log P: -2.1094742
• Molar Refractivity: 62.6057 cm^3
• Polarizability: 22.905128 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds