2-(5-hydroxy-1H-indol-3-yl)acetamide

• ChemBase ID: 104864
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: NC(=O)Cc1c[nH]c2c1cc(O)cc2
• Canonical SMILES: NC(=O)Cc1c[nH]c2c1cc(O)cc2
• InChI: InChI=1S/C10H10N2O2/c11-10(14)3-6-5-12-9-2-1-7(13)4-8(6)9/h1-2,4-5,12-13H,3H2,(H2,11,14)
• InChIKey: XBRZQRWKBWNBEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-hydroxy-1H-indol-3-yl)acetamide
• IUPAC Traditional name: 2-(5-hydroxy-1H-indol-3-yl)acetamide
• Synonyms: 5-HYDROXYINDOLE-3-ACETAMIDE

Database IDs

• CAS Number: 103404-85-9
• PubChem SID: 162092012
• PubChem CID: 258532

CALCULATED PROPERTIES

• Acid pKa: 9.552843
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.59920996
• LogD (pH = 7.4): 0.59622335
• Log P: 0.5992482
• Molar Refractivity: 52.2552 cm^3
• Polarizability: 21.019104 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02157453

Crystalline