1-oxa-8-azaspiro[2.5]octane

C6H11NO — CID 88694842

IUPAC1-oxa-8-azaspiro[2.5]octane
SMILESC1CCC2(CO2)NC1
InChIInChI=1S/C6H11NO/c1-2-4-7-6(3-1)5-8-6/h7H,1-5H2
InChIKeyOREBUXQZEFQNNT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.49
Rot. Bonds

About 1-oxa-8-azaspiro[2.5]octane

1-oxa-8-azaspiro[2.5]octane (PubChem CID 88694842) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[2.5]octane.

Molecular Properties

Compound Name1-oxa-8-azaspiro[2.5]octane
PubChem CID88694842
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-oxa-8-azaspiro[2.5]octane
SMILESC1CCC2(CO2)NC1
InChIInChI=1S/C6H11NO/c1-2-4-7-6(3-1)5-8-6/h7H,1-5H2
InChIKeyOREBUXQZEFQNNT-UHFFFAOYSA-N
XLogP0.49
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-oxa-5-azaspiro[5.5]undecane
CID 14342975
1-oxa-4-azaspiro[4.11]hexadecane
CID 165358700
4-azaspiro[2.5]octane
CID 20522183
1,10-diazaspiro[4.5]decane;dihydrochloride
CID 71741468
1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione
CID 164547889
2,2-dimethylazocane
CID 123664425
2-oxa-5-azaspiro[3.4]octane
CID 54759126
(5R)-7,10-dioxa-4-azadispiro[4.0.46.45]tetradecane
CID 10607983
1-azaspiro[4.5]decane
CID 9092
1-oxa-4,8-diazaspiro[4.5]decane
CID 58245472
2,2-difluoro-5-azaspiro[3.5]nonane
CID 155892857
3,7-diazaspiro[5.6]dodecane
CID 22975640

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[2.5]octane?
The IUPAC name of 1-oxa-8-azaspiro[2.5]octane (CID 88694842) is 1-oxa-8-azaspiro[2.5]octane.
What is the SMILES notation for 1-oxa-8-azaspiro[2.5]octane?
The canonical SMILES for 1-oxa-8-azaspiro[2.5]octane is C1CCC2(CO2)NC1.
What is the InChIKey of 1-oxa-8-azaspiro[2.5]octane?
The InChIKey is OREBUXQZEFQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-4-7-6(3-1)5-8-6/h7H,1-5H2.
What are the key properties of 1-oxa-8-azaspiro[2.5]octane?
1-oxa-8-azaspiro[2.5]octane has a molecular weight of 113.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[2.5]octane is sourced from PubChem (CID 88694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).