5-(prop-2-en-1-yloxy)-1H-indole

• ChemBase ID: 247388
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c12c([nH]cc1)ccc(c2)OCC=C
• Canonical SMILES: C=CCOc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C11H11NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h2-6,8,12H,1,7H2
• InChIKey: CJOAAJIGYICLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(prop-2-en-1-yloxy)-1H-indole
• IUPAC Traditional name: 5-(prop-2-en-1-yloxy)-1H-indole
• Synonyms: 5-(prop-2-en-1-yloxy)-1H-indole

Database IDs

• MDL Number: MFCD13183852
• PubChem SID: 164303298
• PubChem CID: 14239230

CALCULATED PROPERTIES

• Acid pKa: 16.750635
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6455863
• LogD (pH = 7.4): 2.6455863
• Log P: 2.6455863
• Molar Refractivity: 52.7704 cm^3
• Polarizability: 21.56366 Å^3
• Polar Surface Area: 25.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.927

Product Information

• Purity: 95%