3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane

C15H19NO — CID 15196236

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ccc2c(c1)CC(C1CN3CCC1CC3)O2
InChIInChI=1S/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
InChIKeyBFKVAWMWDMHLEZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.33
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane

3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15196236) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15196236
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ccc2c(c1)CC(C1CN3CCC1CC3)O2
InChIInChI=1S/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
InChIKeyBFKVAWMWDMHLEZ-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane (CID 15196236) is 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane is c1ccc2c(c1)CC(C1CN3CCC1CC3)O2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is BFKVAWMWDMHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane?
3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 229.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15196236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).