1-oxa-11-azaspiro[5.6]dodecane

C10H19NO — CID 139291530

IUPAC1-oxa-11-azaspiro[5.6]dodecane
SMILESC1CCC2(CCCCO2)CNC1
InChIInChI=1S/C10H19NO/c1-3-7-11-9-10(5-1)6-2-4-8-12-10/h11H,1-9H2
InChIKeyJDGXQPDSVJPIAY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds

About 1-oxa-11-azaspiro[5.6]dodecane

1-oxa-11-azaspiro[5.6]dodecane (PubChem CID 139291530) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name1-oxa-11-azaspiro[5.6]dodecane
PubChem CID139291530
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-oxa-11-azaspiro[5.6]dodecane
SMILESC1CCC2(CCCCO2)CNC1
InChIInChI=1S/C10H19NO/c1-3-7-11-9-10(5-1)6-2-4-8-12-10/h11H,1-9H2
InChIKeyJDGXQPDSVJPIAY-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 1-oxa-11-azaspiro[5.6]dodecane (CID 139291530) is 1-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 1-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 1-oxa-11-azaspiro[5.6]dodecane is C1CCC2(CCCCO2)CNC1.
What is the InChIKey of 1-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is JDGXQPDSVJPIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-7-11-9-10(5-1)6-2-4-8-12-10/h11H,1-9H2.
What are the key properties of 1-oxa-11-azaspiro[5.6]dodecane?
1-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 169.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 139291530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).