N-[2-(1H-indol-3-yl)ethyl]formamide

• ChemBase ID: 184889
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: [nH]1cc(c2c1cccc2)CCNC=O
• Canonical SMILES: O=CNCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C11H12N2O/c14-8-12-6-5-9-7-13-11-4-2-1-3-10(9)11/h1-4,7-8,13H,5-6H2,(H,12,14)
• InChIKey: JQWVVJKFXINLNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]formamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]formamide

Database IDs

• PubChem SID: 164240799
• PubChem CID: 1712332

CALCULATED PROPERTIES

• Acid pKa: 15.974565
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.2565851
• LogD (pH = 7.4): 1.2565854
• Log P: 1.2565854
• Molar Refractivity: 55.3262 cm^3
• Polarizability: 22.287285 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds