N-[1-(1H-indol-3-yl)propan-2-yl]cyclopropanecarboxamide

• ChemBase ID: 182741
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c1(c[nH]c2c1cccc2)CC(NC(=O)C1CC1)C
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)NC(=O)C1CC1
• InChI: InChI=1S/C15H18N2O/c1-10(17-15(18)11-6-7-11)8-12-9-16-14-5-3-2-4-13(12)14/h2-5,9-11,16H,6-8H2,1H3,(H,17,18)
• InChIKey: XAGAWVUMMWZXRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238651
• PubChem CID: 2828775

CALCULATED PROPERTIES

• Acid pKa: 15.767916
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.5016549
• LogD (pH = 7.4): 2.5016553
• Log P: 2.5016553
• Molar Refractivity: 71.6347 cm^3
• Polarizability: 28.933023 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds