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

• ChemBase ID: 61155
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: C1(=O)N(c2c(C1=O)cccc2)N(C)C
• Canonical SMILES: O=C1c2ccccc2N(C1=O)N(C)C
• InChI: InChI=1S/C10H10N2O2/c1-11(2)12-8-6-4-3-5-7(8)9(13)10(12)14/h3-6H,1-2H3
• InChIKey: VWIPTYIHWFELNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19103634
• PubChem SID: 162026896
• PubChem CID: 14320890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.46122652
• LogD (pH = 7.4): 0.461228
• Log P: 0.461228
• Molar Refractivity: 51.7876 cm^3
• Polarizability: 19.642124 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false