6-(dimethylamino)-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 269982
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: C1(=O)Nc2c(C1=O)ccc(c2)N(C)C
• Canonical SMILES: CN(c1ccc2c(c1)NC(=O)C2=O)C
• InChI: InChI=1S/C10H10N2O2/c1-12(2)6-3-4-7-8(5-6)11-10(14)9(7)13/h3-5H,1-2H3,(H,11,13,14)
• InChIKey: CZQRZTYGPPIMQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 6-(dimethylamino)-1H-indole-2,3-dione
• Synonyms: 6-(dimethylamino)-2,3-dihydro-1H-indole-2,3-dione

Database IDs

• MDL Number: MFCD12143528
• PubChem SID: 164325892
• PubChem CID: 43586427

CALCULATED PROPERTIES

• Acid pKa: 8.872924
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7091674
• LogD (pH = 7.4): 1.6959355
• Log P: 1.7095875
• Molar Refractivity: 54.9036 cm^3
• Polarizability: 19.365528 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.993

Product Information

• Purity: 95%