1-oxa-7-azaspiro[3.4]octane

C6H11NO — CID 54759147

IUPAC1-oxa-7-azaspiro[3.4]octane
SMILESC1CC2(CCO2)CN1
InChIInChI=1S/C6H11NO/c1-3-7-5-6(1)2-4-8-6/h7H,1-5H2
InChIKeyHCYLFYASAYLVBO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds

About 1-oxa-7-azaspiro[3.4]octane

1-oxa-7-azaspiro[3.4]octane (PubChem CID 54759147) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name1-oxa-7-azaspiro[3.4]octane
PubChem CID54759147
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-oxa-7-azaspiro[3.4]octane
SMILESC1CC2(CCO2)CN1
InChIInChI=1S/C6H11NO/c1-3-7-5-6(1)2-4-8-6/h7H,1-5H2
InChIKeyHCYLFYASAYLVBO-UHFFFAOYSA-N
XLogP0.14
TPSA21.26 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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-oxa-7-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 1-oxa-7-azaspiro[3.4]octane (CID 54759147) is 1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 1-oxa-7-azaspiro[3.4]octane is C1CC2(CCO2)CN1.
What is the InChIKey of 1-oxa-7-azaspiro[3.4]octane?
The InChIKey is HCYLFYASAYLVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-7-5-6(1)2-4-8-6/h7H,1-5H2.
What are the key properties of 1-oxa-7-azaspiro[3.4]octane?
1-oxa-7-azaspiro[3.4]octane has a molecular weight of 113.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 54759147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).