4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one

C8H13NO2 — CID 175639319

IUPAC4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one
SMILESCCN1C(=O)OCCC12CC2
InChIInChI=1S/C8H13NO2/c1-2-9-7(10)11-6-5-8(9)3-4-8/h2-6H2,1H3
InChIKeyGBXIQJLYBJULHD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds1

About 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one

4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one (PubChem CID 175639319) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one
PubChem CID175639319
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one
SMILESCCN1C(=O)OCCC12CC2
InChIInChI=1S/C8H13NO2/c1-2-9-7(10)11-6-5-8(9)3-4-8/h2-6H2,1H3
InChIKeyGBXIQJLYBJULHD-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one?
The IUPAC name of 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one (CID 175639319) is 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one?
The canonical SMILES for 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one is CCN1C(=O)OCCC12CC2.
What is the InChIKey of 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one?
The InChIKey is GBXIQJLYBJULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-9-7(10)11-6-5-8(9)3-4-8/h2-6H2,1H3.
What are the key properties of 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one?
4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one has a molecular weight of 155.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-oxa-4-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 175639319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).