3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C9H17NO2 — CID 89036631

IUPAC3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-11-5-4-10-6-8-2-3-9(7-10)12-8/h8-9H,2-7H2,1H3
InChIKeyPWZKJPHGPFBHRJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.50
Rot. Bonds3

About 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 89036631) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID89036631
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-11-5-4-10-6-8-2-3-9(7-10)12-8/h8-9H,2-7H2,1H3
InChIKeyPWZKJPHGPFBHRJ-UHFFFAOYSA-N
XLogP0.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 89036631) is 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is COCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is PWZKJPHGPFBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-5-4-10-6-8-2-3-9(7-10)12-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 171.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89036631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).