2-oxa-10-azaspiro[4.6]undecane

C9H17NO — CID 116526025

IUPAC2-oxa-10-azaspiro[4.6]undecane
SMILESC1CCC2(CCOC2)CNC1
InChIInChI=1S/C9H17NO/c1-2-5-10-7-9(3-1)4-6-11-8-9/h10H,1-8H2
InChIKeyPXRWDKPTQZVVHE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.17
Rot. Bonds

About 2-oxa-10-azaspiro[4.6]undecane

2-oxa-10-azaspiro[4.6]undecane (PubChem CID 116526025) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name2-oxa-10-azaspiro[4.6]undecane
PubChem CID116526025
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-oxa-10-azaspiro[4.6]undecane
SMILESC1CCC2(CCOC2)CNC1
InChIInChI=1S/C9H17NO/c1-2-5-10-7-9(3-1)4-6-11-8-9/h10H,1-8H2
InChIKeyPXRWDKPTQZVVHE-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 2-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 2-oxa-10-azaspiro[4.6]undecane (CID 116526025) is 2-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 2-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 2-oxa-10-azaspiro[4.6]undecane is C1CCC2(CCOC2)CNC1.
What is the InChIKey of 2-oxa-10-azaspiro[4.6]undecane?
The InChIKey is PXRWDKPTQZVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-10-7-9(3-1)4-6-11-8-9/h10H,1-8H2.
What are the key properties of 2-oxa-10-azaspiro[4.6]undecane?
2-oxa-10-azaspiro[4.6]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 2-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 116526025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).