6-amino-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 294282
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: O=C1Nc2c(ccc(N)c2)C1
• Canonical SMILES: O=C1Cc2c(N1)cc(cc2)N
• InChI: InChI=1S/C8H8N2O/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3,9H2,(H,10,11)
• InChIKey: OCOCBVKMMMIDLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 6-amino-1,3-dihydroindol-2-one
• Synonyms: 6-Aminoindolin-2-one; 6-amino-1,3-dihydro-2H-indol-2-one

Database IDs

• CAS Number: 150544-04-0
• MDL Number: MFCD08669501
• PubChem SID: 180679813
• PubChem CID: 590538

CALCULATED PROPERTIES

• Acid pKa: 13.328432
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.23362437
• LogD (pH = 7.4): 0.24300283
• Log P: 0.24312423
• Molar Refractivity: 44.2853 cm^3
• Polarizability: 15.617081 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%