3-oxa-10-azaspiro[5.6]dodecane

C10H19NO — CID 82412656

IUPAC3-oxa-10-azaspiro[5.6]dodecane
SMILESC1CNCCC2(C1)CCOCC2
InChIInChI=1S/C10H19NO/c1-2-10(3-7-11-6-1)4-8-12-9-5-10/h11H,1-9H2
InChIKeyJXHZOOODQLZYKW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds

About 3-oxa-10-azaspiro[5.6]dodecane

3-oxa-10-azaspiro[5.6]dodecane (PubChem CID 82412656) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-oxa-10-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-oxa-10-azaspiro[5.6]dodecane
PubChem CID82412656
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-oxa-10-azaspiro[5.6]dodecane
SMILESC1CNCCC2(C1)CCOCC2
InChIInChI=1S/C10H19NO/c1-2-10(3-7-11-6-1)4-8-12-9-5-10/h11H,1-9H2
InChIKeyJXHZOOODQLZYKW-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-oxa-10-azaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxa-10-azaspiro[5.6]dodecane?
The IUPAC name of 3-oxa-10-azaspiro[5.6]dodecane (CID 82412656) is 3-oxa-10-azaspiro[5.6]dodecane.
What is the SMILES notation for 3-oxa-10-azaspiro[5.6]dodecane?
The canonical SMILES for 3-oxa-10-azaspiro[5.6]dodecane is C1CNCCC2(C1)CCOCC2.
What is the InChIKey of 3-oxa-10-azaspiro[5.6]dodecane?
The InChIKey is JXHZOOODQLZYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(3-7-11-6-1)4-8-12-9-5-10/h11H,1-9H2.
What are the key properties of 3-oxa-10-azaspiro[5.6]dodecane?
3-oxa-10-azaspiro[5.6]dodecane has a molecular weight of 169.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-10-azaspiro[5.6]dodecane is sourced from PubChem (CID 82412656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).