2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol

C9H17NO2 — CID 101160976

IUPAC2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
SMILESOCCO[C@H]1CN2CCC1CC2
InChIInChI=1S/C9H17NO2/c11-5-6-12-9-7-10-3-1-8(9)2-4-10/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyLFLSJDAKOJUXLZ-VIFPVBQESA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds3

About 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol

2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol (PubChem CID 101160976) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
PubChem CID101160976
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
SMILESOCCO[C@H]1CN2CCC1CC2
InChIInChI=1S/C9H17NO2/c11-5-6-12-9-7-10-3-1-8(9)2-4-10/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyLFLSJDAKOJUXLZ-VIFPVBQESA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol?
The IUPAC name of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol (CID 101160976) is 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol is OCCO[C@H]1CN2CCC1CC2.
What is the InChIKey of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol?
The InChIKey is LFLSJDAKOJUXLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c11-5-6-12-9-7-10-3-1-8(9)2-4-10/h8-9,11H,1-7H2/t9-/m0/s1.
What are the key properties of 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol?
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol is sourced from PubChem (CID 101160976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).