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

C8H16N2O — CID 82416083

IUPAC8-oxa-1,4-diazaspiro[5.5]undecane
SMILESC1COCC2(C1)CNCCN2
InChIInChI=1S/C8H16N2O/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2
InChIKeyARTBMSOSSQTHKF-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.27
Rot. Bonds

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

8-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 82416083) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 8-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID82416083
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name8-oxa-1,4-diazaspiro[5.5]undecane
SMILESC1COCC2(C1)CNCCN2
InChIInChI=1S/C8H16N2O/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2
InChIKeyARTBMSOSSQTHKF-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 8-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 8-oxa-1,4-diazaspiro[5.5]undecane (CID 82416083) is 8-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 8-oxa-1,4-diazaspiro[5.5]undecane is C1COCC2(C1)CNCCN2.
What is the InChIKey of 8-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is ARTBMSOSSQTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2.
What are the key properties of 8-oxa-1,4-diazaspiro[5.5]undecane?
8-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 8-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82416083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).