3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole

C17H20N2O2 — CID 15157619

IUPAC3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole
SMILESCOc1cc2[nH]cc(C3=CN4CCC3CC4)c2cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-16-7-12-13(9-18-15(12)8-17(16)21-2)14-10-19-5-3-11(14)4-6-19/h7-11,18H,3-6H2,1-2H3
InChIKeyAUIJWMTWDCZCNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds3

About 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole

3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole (PubChem CID 15157619) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole
PubChem CID15157619
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole
SMILESCOc1cc2[nH]cc(C3=CN4CCC3CC4)c2cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-16-7-12-13(9-18-15(12)8-17(16)21-2)14-10-19-5-3-11(14)4-6-19/h7-11,18H,3-6H2,1-2H3
InChIKeyAUIJWMTWDCZCNE-UHFFFAOYSA-N
XLogP3.25
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole (CID 15157619) is 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole is COc1cc2[nH]cc(C3=CN4CCC3CC4)c2cc1OC.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole?
The InChIKey is AUIJWMTWDCZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-7-12-13(9-18-15(12)8-17(16)21-2)14-10-19-5-3-11(14)4-6-19/h7-11,18H,3-6H2,1-2H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole?
3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole has a molecular weight of 284.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5,6-dimethoxy-1H-indole is sourced from PubChem (CID 15157619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).