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

C16H18N2O2 — CID 10199314

IUPAC8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate
SMILESO=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O2/c19-16(14-9-17-15-4-2-1-3-13(14)15)20-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2
InChIKeyLCAGVMWMARLFPS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds2

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

8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate (PubChem CID 10199314) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate
PubChem CID10199314
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate
SMILESO=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O2/c19-16(14-9-17-15-4-2-1-3-13(14)15)20-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2
InChIKeyLCAGVMWMARLFPS-UHFFFAOYSA-N
XLogP2.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate (CID 10199314) is 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate is O=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate?
The InChIKey is LCAGVMWMARLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(14-9-17-15-4-2-1-3-13(14)15)20-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate?
8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate is sourced from PubChem (CID 10199314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).