3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one

C10H17NO2 — CID 130920905

IUPAC3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCC1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C10H17NO2/c1-2-8-3-4-10(5-8)7-11-9(12)6-13-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOBBVURBPMHEMMR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds1

About 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one

3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 130920905) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID130920905
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCC1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C10H17NO2/c1-2-8-3-4-10(5-8)7-11-9(12)6-13-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOBBVURBPMHEMMR-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one (CID 130920905) is 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one is CCC1CCC2(CNC(=O)CO2)C1.
What is the InChIKey of 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is OBBVURBPMHEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-8-3-4-10(5-8)7-11-9(12)6-13-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one?
3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 183.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 130920905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).