3-(furan-2-yl)-1-azabicyclo[2.2.2]octane

C11H15NO — CID 14685523

IUPAC3-(furan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESc1coc(C2CN3CCC2CC3)c1
InChIInChI=1S/C11H15NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7,9-10H,3-6,8H2
InChIKeyFRMNLSFKADQIJG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.09
Rot. Bonds1

About 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane

3-(furan-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 14685523) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(furan-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID14685523
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(furan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESc1coc(C2CN3CCC2CC3)c1
InChIInChI=1S/C11H15NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7,9-10H,3-6,8H2
InChIKeyFRMNLSFKADQIJG-UHFFFAOYSA-N
XLogP2.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane (CID 14685523) is 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane is c1coc(C2CN3CCC2CC3)c1.
What is the InChIKey of 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is FRMNLSFKADQIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7,9-10H,3-6,8H2.
What are the key properties of 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane?
3-(furan-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 177.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 14685523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).