6-(morpholin-4-yl)-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 259452
• Molecular Formular: C12H12N2O3
• Molecular Mass: 232.23528
• Monoisotopic Mass: 232.08479225
• SMILES: C1(=O)Nc2c(C1=O)ccc(c2)N1CCOCC1
• Canonical SMILES: O=C1C(=O)Nc2c1ccc(c2)N1CCOCC1
• InChI: InChI=1S/C12H12N2O3/c15-11-9-2-1-8(7-10(9)13-12(11)16)14-3-5-17-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
• InChIKey: DIFUJTIWKDSPBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 6-(morpholin-4-yl)-1H-indole-2,3-dione
• Synonyms: 6-(morpholin-4-yl)-2,3-dihydro-1H-indole-2,3-dione

Database IDs

• MDL Number: MFCD11858056
• PubChem SID: 164315362
• PubChem CID: 39869096

CALCULATED PROPERTIES

• Acid pKa: 8.87137
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4909115
• LogD (pH = 7.4): 1.47739
• Log P: 1.491087
• Molar Refractivity: 63.9781 cm^3
• Polarizability: 23.040005 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.648

Product Information

• Purity: 95%