(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane

C8H15NO — CID 177187093

IUPAC(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane
SMILESCCN1C[C@H]2C[C@@H]1CCO2
InChIInChI=1S/C8H15NO/c1-2-9-6-8-5-7(9)3-4-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyCAPKPWUWDVZWTD-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds1

About (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane

(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 177187093) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane
PubChem CID177187093
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane
SMILESCCN1C[C@H]2C[C@@H]1CCO2
InChIInChI=1S/C8H15NO/c1-2-9-6-8-5-7(9)3-4-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyCAPKPWUWDVZWTD-JGVFFNPUSA-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 (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane (CID 177187093) is (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane is CCN1C[C@H]2C[C@@H]1CCO2.
What is the InChIKey of (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is CAPKPWUWDVZWTD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-6-8-5-7(9)3-4-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane?
(1R,5S)-6-ethyl-2-oxa-6-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 (1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 177187093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).