5-oxa-8-azaspiro[3.5]nonane

C7H13NO — CID 22417204

IUPAC5-oxa-8-azaspiro[3.5]nonane
SMILESC1CC2(C1)CNCCO2
InChIInChI=1S/C7H13NO/c1-2-7(3-1)6-8-4-5-9-7/h8H,1-6H2
InChIKeyAAZVXZWIZSYZLN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About 5-oxa-8-azaspiro[3.5]nonane

5-oxa-8-azaspiro[3.5]nonane (PubChem CID 22417204) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-oxa-8-azaspiro[3.5]nonane
PubChem CID22417204
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-oxa-8-azaspiro[3.5]nonane
SMILESC1CC2(C1)CNCCO2
InChIInChI=1S/C7H13NO/c1-2-7(3-1)6-8-4-5-9-7/h8H,1-6H2
InChIKeyAAZVXZWIZSYZLN-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 5-oxa-8-azaspiro[3.5]nonane (CID 22417204) is 5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 5-oxa-8-azaspiro[3.5]nonane is C1CC2(C1)CNCCO2.
What is the InChIKey of 5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is AAZVXZWIZSYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(3-1)6-8-4-5-9-7/h8H,1-6H2.
What are the key properties of 5-oxa-8-azaspiro[3.5]nonane?
5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 127.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 22417204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).