2-ethyl-5-oxa-2-azaspiro[3.4]octane

C8H15NO — CID 90372523

IUPAC2-ethyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCN1CC2(CCCO2)C1
InChIInChI=1S/C8H15NO/c1-2-9-6-8(7-9)4-3-5-10-8/h2-7H2,1H3
InChIKeyGUAWIXGXUYXMMB-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds1

About 2-ethyl-5-oxa-2-azaspiro[3.4]octane

2-ethyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 90372523) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-ethyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID90372523
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCN1CC2(CCCO2)C1
InChIInChI=1S/C8H15NO/c1-2-9-6-8(7-9)4-3-5-10-8/h2-7H2,1H3
InChIKeyGUAWIXGXUYXMMB-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 2-ethyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-ethyl-5-oxa-2-azaspiro[3.4]octane (CID 90372523) is 2-ethyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-ethyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-ethyl-5-oxa-2-azaspiro[3.4]octane is CCN1CC2(CCCO2)C1.
What is the InChIKey of 2-ethyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is GUAWIXGXUYXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-6-8(7-9)4-3-5-10-8/h2-7H2,1H3.
What are the key properties of 2-ethyl-5-oxa-2-azaspiro[3.4]octane?
2-ethyl-5-oxa-2-azaspiro[3.4]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 2-ethyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 90372523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).