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

• ChemBase ID: 224311
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)N
• Canonical SMILES: NC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C11H13N3O/c12-11(15)13-6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7,14H,5-6H2,(H3,12,13,15)
• InChIKey: IOPLEPURJVQCFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164280221
• PubChem CID: 17605723

CALCULATED PROPERTIES

• Acid pKa: 15.541334
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 0.9717385
• LogD (pH = 7.4): 0.9717385
• Log P: 0.9717385
• Molar Refractivity: 58.4934 cm^3
• Polarizability: 23.405724 Å^3
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds