1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione

C9H11NO5 — CID 164547889

IUPAC1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione
SMILESO=C1OC2(OCC23CCCCN3)OC1=O
InChIInChI=1S/C9H11NO5/c11-6-7(12)15-9(14-6)8(5-13-9)3-1-2-4-10-8/h10H,1-5H2
InChIKeyFEUYOCDMVIRGHX-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.72
Rot. Bonds

About 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione

1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione (PubChem CID 164547889) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione.

Molecular Properties

Compound Name1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione
PubChem CID164547889
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione
SMILESO=C1OC2(OCC23CCCCN3)OC1=O
InChIInChI=1S/C9H11NO5/c11-6-7(12)15-9(14-6)8(5-13-9)3-1-2-4-10-8/h10H,1-5H2
InChIKeyFEUYOCDMVIRGHX-UHFFFAOYSA-N
XLogP-0.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione 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 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione?
The IUPAC name of 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione (CID 164547889) is 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione.
What is the SMILES notation for 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione?
The canonical SMILES for 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione is O=C1OC2(OCC23CCCCN3)OC1=O.
What is the InChIKey of 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione?
The InChIKey is FEUYOCDMVIRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c11-6-7(12)15-9(14-6)8(5-13-9)3-1-2-4-10-8/h10H,1-5H2.
What are the key properties of 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione?
1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione has a molecular weight of 213.19 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,13-trioxa-7-azadispiro[4.0.56.25]tridecane-2,3-dione is sourced from PubChem (CID 164547889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).