3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

C13H17NO — CID 10679666

IUPAC3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1ccc(C2=CN3CCC2CC3)o1
InChIInChI=1S/C13H17NO/c1-2-11-3-4-13(15-11)12-9-14-7-5-10(12)6-8-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyCUYJUFFZSFIMQM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.91
Rot. Bonds2

About 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 10679666) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID10679666
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1ccc(C2=CN3CCC2CC3)o1
InChIInChI=1S/C13H17NO/c1-2-11-3-4-13(15-11)12-9-14-7-5-10(12)6-8-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyCUYJUFFZSFIMQM-UHFFFAOYSA-N
XLogP2.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (CID 10679666) is 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is CCc1ccc(C2=CN3CCC2CC3)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is CUYJUFFZSFIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-11-3-4-13(15-11)12-9-14-7-5-10(12)6-8-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 203.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10679666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).