1,2-dioxa-8-azaspiro[4.5]decane

C7H13NO2 — CID 22220472

IUPAC1,2-dioxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)CCOO2
InChIInChI=1S/C7H13NO2/c1-4-8-5-2-7(1)3-6-9-10-7/h8H,1-6H2
InChIKeyLCPXOBNWZCWFSM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds

About 1,2-dioxa-8-azaspiro[4.5]decane

1,2-dioxa-8-azaspiro[4.5]decane (PubChem CID 22220472) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1,2-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,2-dioxa-8-azaspiro[4.5]decane
PubChem CID22220472
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1,2-dioxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)CCOO2
InChIInChI=1S/C7H13NO2/c1-4-8-5-2-7(1)3-6-9-10-7/h8H,1-6H2
InChIKeyLCPXOBNWZCWFSM-UHFFFAOYSA-N
XLogP0.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,2-dioxa-8-azaspiro[4.5]decane 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 1,2-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 1,2-dioxa-8-azaspiro[4.5]decane (CID 22220472) is 1,2-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 1,2-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 1,2-dioxa-8-azaspiro[4.5]decane is C1CC2(CCN1)CCOO2.
What is the InChIKey of 1,2-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LCPXOBNWZCWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8-5-2-7(1)3-6-9-10-7/h8H,1-6H2.
What are the key properties of 1,2-dioxa-8-azaspiro[4.5]decane?
1,2-dioxa-8-azaspiro[4.5]decane has a molecular weight of 143.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 22220472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).