3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane

C8H15NO — CID 66615302

IUPAC3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H15NO/c1-2-9-5-7-3-4-8(6-9)10-7/h7-8H,2-6H2,1H3
InChIKeyFHXURJJENDQJKU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds1

About 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane

3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66615302) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66615302
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H15NO/c1-2-9-5-7-3-4-8(6-9)10-7/h7-8H,2-6H2,1H3
InChIKeyFHXURJJENDQJKU-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 66615302) is 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane is CCN1CC2CCC(C1)O2.
What is the InChIKey of 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is FHXURJJENDQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-5-7-3-4-8(6-9)10-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 141.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66615302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).