9-ethyl-1-oxa-4-azaspiro[5.6]dodecane

C12H23NO — CID 65122613

IUPAC9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-2-11-4-3-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3
InChIKeyNCJXYBFRRJUPTL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds1

About 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane

9-ethyl-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 65122613) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID65122613
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-2-11-4-3-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3
InChIKeyNCJXYBFRRJUPTL-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane (CID 65122613) is 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane is CCC1CCCC2(CC1)CNCCO2.
What is the InChIKey of 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is NCJXYBFRRJUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11-4-3-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3.
What are the key properties of 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane?
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 197.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 65122613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).