5-oxa-2-azaspiro[3.5]nonane

C7H13NO — CID 55279887

IUPAC5-oxa-2-azaspiro[3.5]nonane
SMILESC1CCC2(CNC2)OC1
InChIInChI=1S/C7H13NO/c1-2-4-9-7(3-1)5-8-6-7/h8H,1-6H2
InChIKeySBULNORPQJCVIL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About 5-oxa-2-azaspiro[3.5]nonane

5-oxa-2-azaspiro[3.5]nonane (PubChem CID 55279887) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-oxa-2-azaspiro[3.5]nonane
PubChem CID55279887
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-oxa-2-azaspiro[3.5]nonane
SMILESC1CCC2(CNC2)OC1
InChIInChI=1S/C7H13NO/c1-2-4-9-7(3-1)5-8-6-7/h8H,1-6H2
InChIKeySBULNORPQJCVIL-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-2-azaspiro[3.5]nonane?
The IUPAC name of 5-oxa-2-azaspiro[3.5]nonane (CID 55279887) is 5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 5-oxa-2-azaspiro[3.5]nonane is C1CCC2(CNC2)OC1.
What is the InChIKey of 5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is SBULNORPQJCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-9-7(3-1)5-8-6-7/h8H,1-6H2.
What are the key properties of 5-oxa-2-azaspiro[3.5]nonane?
5-oxa-2-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-2-azaspiro[3.5]nonane is sourced from PubChem (CID 55279887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).