3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane

C12H17NO — CID 14685521

IUPAC3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1ccc(C2CN3CCC2CC3)o1
InChIInChI=1S/C12H17NO/c1-9-2-3-12(14-9)11-8-13-6-4-10(11)5-7-13/h2-3,10-11H,4-8H2,1H3
InChIKeyVGKXAALIEMNQNP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.40
Rot. Bonds1

About 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane

3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 14685521) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID14685521
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1ccc(C2CN3CCC2CC3)o1
InChIInChI=1S/C12H17NO/c1-9-2-3-12(14-9)11-8-13-6-4-10(11)5-7-13/h2-3,10-11H,4-8H2,1H3
InChIKeyVGKXAALIEMNQNP-UHFFFAOYSA-N
XLogP2.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane (CID 14685521) is 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane is Cc1ccc(C2CN3CCC2CC3)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is VGKXAALIEMNQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-2-3-12(14-9)11-8-13-6-4-10(11)5-7-13/h2-3,10-11H,4-8H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane?
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 191.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 14685521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).