4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

C10H13NO2 — CID 15581986

IUPAC4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESO=C1NC(=O)C2C3CCC(CC3)C12
InChIInChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13)
InChIKeyGZCMBOIXKWSTSJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds

About 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (PubChem CID 15581986) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
PubChem CID15581986
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
SMILESO=C1NC(=O)C2C3CCC(CC3)C12
InChIInChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13)
InChIKeyGZCMBOIXKWSTSJ-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The IUPAC name of 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione (CID 15581986) is 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione.
What is the SMILES notation for 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The canonical SMILES for 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is O=C1NC(=O)C2C3CCC(CC3)C12.
What is the InChIKey of 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
The InChIKey is GZCMBOIXKWSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13).
What are the key properties of 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione?
4-azatricyclo[5.2.2.02,6]undecane-3,5-dione has a molecular weight of 179.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.2.02,6]undecane-3,5-dione is sourced from PubChem (CID 15581986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).