4-oxa-1,8-diazaspiro[5.5]undecane

C8H16N2O — CID 118210740

IUPAC4-oxa-1,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)COCCN2
InChIInChI=1S/C8H16N2O/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2
InChIKeyPLQLMKWLQQIJLC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.27
Rot. Bonds

About 4-oxa-1,8-diazaspiro[5.5]undecane

4-oxa-1,8-diazaspiro[5.5]undecane (PubChem CID 118210740) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-oxa-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-oxa-1,8-diazaspiro[5.5]undecane
PubChem CID118210740
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-oxa-1,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)COCCN2
InChIInChI=1S/C8H16N2O/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2
InChIKeyPLQLMKWLQQIJLC-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 4-oxa-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-oxa-1,8-diazaspiro[5.5]undecane (CID 118210740) is 4-oxa-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-oxa-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-oxa-1,8-diazaspiro[5.5]undecane is C1CNCC2(C1)COCCN2.
What is the InChIKey of 4-oxa-1,8-diazaspiro[5.5]undecane?
The InChIKey is PLQLMKWLQQIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2.
What are the key properties of 4-oxa-1,8-diazaspiro[5.5]undecane?
4-oxa-1,8-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 4-oxa-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118210740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).