8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate

• ChemBase ID: 189736
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: c1(C(=O)OC2CC3N(C(C2)CC3)C)c[nH]c2c1cccc2
• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
• InChIKey: ZNRGQMMCGHDTEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate

Database IDs

• PubChem SID: 164245646
• PubChem CID: 5595

CALCULATED PROPERTIES

• Acid pKa: 12.182885
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.70924056
• LogD (pH = 7.4): 0.69646686
• Log P: 2.6276226
• Molar Refractivity: 81.5023 cm^3
• Polarizability: 32.93648 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds