5-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)imidazolidine-2,4-dione

• ChemBase ID: 202438
• Molecular Formular: C12H9N3O3
• Molecular Mass: 243.21816
• Monoisotopic Mass: 243.06439116
• SMILES: C\1(=C\2/C(=O)NC(=O)N2)/C(=O)Nc2c1cc(cc2)C
• Canonical SMILES: O=C1NC(=O)/C(=C/2\C(=O)Nc3c2cc(C)cc3)/N1
• InChI: InChI=1S/C12H9N3O3/c1-5-2-3-7-6(4-5)8(10(16)13-7)9-11(17)15-12(18)14-9/h2-4H,1H3,(H,13,16)(H2,14,15,17,18)/b9-8+
• InChIKey: XVLMQXZHXBZPTF-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(5-methyl-2-oxo-1H-indol-3-ylidene)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164258348
• PubChem CID: 5543143

CALCULATED PROPERTIES

• Acid pKa: 7.699589
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.14036456
• LogD (pH = 7.4): -0.031030858
• Log P: 0.14306743
• Molar Refractivity: 64.9872 cm^3
• Polarizability: 23.349148 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds