9-oxa-1,4-diazaspiro[5.5]undecane

C8H16N2O — CID 57376974

IUPAC9-oxa-1,4-diazaspiro[5.5]undecane
SMILESC1CNC2(CCOCC2)CN1
InChIInChI=1S/C8H16N2O/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2
InChIKeyFPTKNRKROIULHC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.27
Rot. Bonds

About 9-oxa-1,4-diazaspiro[5.5]undecane

9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 57376974) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID57376974
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name9-oxa-1,4-diazaspiro[5.5]undecane
SMILESC1CNC2(CCOCC2)CN1
InChIInChI=1S/C8H16N2O/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2
InChIKeyFPTKNRKROIULHC-UHFFFAOYSA-N
XLogP-0.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 9-oxa-1,4-diazaspiro[5.5]undecane (CID 57376974) is 9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 9-oxa-1,4-diazaspiro[5.5]undecane is C1CNC2(CCOCC2)CN1.
What is the InChIKey of 9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is FPTKNRKROIULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2.
What are the key properties of 9-oxa-1,4-diazaspiro[5.5]undecane?
9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 156.23 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 57376974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).