2-oxa-5,8-diazaspiro[3.7]undecane

C8H16N2O — CID 118210062

IUPAC2-oxa-5,8-diazaspiro[3.7]undecane
SMILESC1CNCCNC2(C1)COC2
InChIInChI=1S/C8H16N2O/c1-2-8(6-11-7-8)10-5-4-9-3-1/h9-10H,1-7H2
InChIKeyJKBMSTQBJXCSDN-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.27
Rot. Bonds

About 2-oxa-5,8-diazaspiro[3.7]undecane

2-oxa-5,8-diazaspiro[3.7]undecane (PubChem CID 118210062) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-oxa-5,8-diazaspiro[3.7]undecane.

Molecular Properties

Compound Name2-oxa-5,8-diazaspiro[3.7]undecane
PubChem CID118210062
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-oxa-5,8-diazaspiro[3.7]undecane
SMILESC1CNCCNC2(C1)COC2
InChIInChI=1S/C8H16N2O/c1-2-8(6-11-7-8)10-5-4-9-3-1/h9-10H,1-7H2
InChIKeyJKBMSTQBJXCSDN-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 2-oxa-5,8-diazaspiro[3.7]undecane?
The IUPAC name of 2-oxa-5,8-diazaspiro[3.7]undecane (CID 118210062) is 2-oxa-5,8-diazaspiro[3.7]undecane.
What is the SMILES notation for 2-oxa-5,8-diazaspiro[3.7]undecane?
The canonical SMILES for 2-oxa-5,8-diazaspiro[3.7]undecane is C1CNCCNC2(C1)COC2.
What is the InChIKey of 2-oxa-5,8-diazaspiro[3.7]undecane?
The InChIKey is JKBMSTQBJXCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(6-11-7-8)10-5-4-9-3-1/h9-10H,1-7H2.
What are the key properties of 2-oxa-5,8-diazaspiro[3.7]undecane?
2-oxa-5,8-diazaspiro[3.7]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 2-oxa-5,8-diazaspiro[3.7]undecane is sourced from PubChem (CID 118210062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).