6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene

C13H16N2O — CID 139841293

IUPAC6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene
SMILESCOc1ccc(C2=CC3CCC2NC3)cn1
InChIInChI=1S/C13H16N2O/c1-16-13-5-3-10(8-15-13)11-6-9-2-4-12(11)14-7-9/h3,5-6,8-9,12,14H,2,4,7H2,1H3
InChIKeyGICUMWFUFCMKDJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.86
Rot. Bonds2

About 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene

6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene (PubChem CID 139841293) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene
PubChem CID139841293
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene
SMILESCOc1ccc(C2=CC3CCC2NC3)cn1
InChIInChI=1S/C13H16N2O/c1-16-13-5-3-10(8-15-13)11-6-9-2-4-12(11)14-7-9/h3,5-6,8-9,12,14H,2,4,7H2,1H3
InChIKeyGICUMWFUFCMKDJ-UHFFFAOYSA-N
XLogP1.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene (CID 139841293) is 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene is COc1ccc(C2=CC3CCC2NC3)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene?
The InChIKey is GICUMWFUFCMKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-13-5-3-10(8-15-13)11-6-9-2-4-12(11)14-7-9/h3,5-6,8-9,12,14H,2,4,7H2,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene?
6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene has a molecular weight of 216.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene is sourced from PubChem (CID 139841293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).