4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C10H11NO2 — CID 142165560

IUPAC4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1NC(=O)C2C3CC(C4CC43)C12
InChIInChI=1S/C10H11NO2/c12-9-7-5-2-6(4-1-3(4)5)8(7)10(13)11-9/h3-8H,1-2H2,(H,11,12,13)
InChIKeyVDYHFSFZQXGCNA-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.16
Rot. Bonds

About 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 142165560) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID142165560
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1NC(=O)C2C3CC(C4CC43)C12
InChIInChI=1S/C10H11NO2/c12-9-7-5-2-6(4-1-3(4)5)8(7)10(13)11-9/h3-8H,1-2H2,(H,11,12,13)
InChIKeyVDYHFSFZQXGCNA-UHFFFAOYSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-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 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 142165560) is 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is O=C1NC(=O)C2C3CC(C4CC43)C12.
What is the InChIKey of 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is VDYHFSFZQXGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9-7-5-2-6(4-1-3(4)5)8(7)10(13)11-9/h3-8H,1-2H2,(H,11,12,13).
What are the key properties of 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 177.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 142165560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).