3-oxa-9-azaspiro[5.5]undecane

C9H17NO — CID 39871984

IUPAC3-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCOCC2
InChIInChI=1S/C9H17NO/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10H,1-8H2
InChIKeyNJGVTIXCHOYDJW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.17
Rot. Bonds

About 3-oxa-9-azaspiro[5.5]undecane

3-oxa-9-azaspiro[5.5]undecane (PubChem CID 39871984) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-oxa-9-azaspiro[5.5]undecane
PubChem CID39871984
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCOCC2
InChIInChI=1S/C9H17NO/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10H,1-8H2
InChIKeyNJGVTIXCHOYDJW-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-oxa-9-azaspiro[5.5]undecane (CID 39871984) is 3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-oxa-9-azaspiro[5.5]undecane is C1CC2(CCN1)CCOCC2.
What is the InChIKey of 3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is NJGVTIXCHOYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10H,1-8H2.
What are the key properties of 3-oxa-9-azaspiro[5.5]undecane?
3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 155.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 39871984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).