4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione

C11H15NO2 — CID 14086434

IUPAC4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
SMILESO=C1NC(=O)C2C3CCCC(CC3)C12
InChIInChI=1S/C11H15NO2/c13-10-8-6-2-1-3-7(5-4-6)9(8)11(14)12-10/h6-9H,1-5H2,(H,12,13,14)
InChIKeyBEAYPSZVNUHAOU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.09
Rot. Bonds

About 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione

4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione (PubChem CID 14086434) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione.

Molecular Properties

Compound Name4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
PubChem CID14086434
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
SMILESO=C1NC(=O)C2C3CCCC(CC3)C12
InChIInChI=1S/C11H15NO2/c13-10-8-6-2-1-3-7(5-4-6)9(8)11(14)12-10/h6-9H,1-5H2,(H,12,13,14)
InChIKeyBEAYPSZVNUHAOU-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.09
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[5.3.2.02,6]dodecane-3,5-dione?
The IUPAC name of 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione (CID 14086434) is 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione.
What is the SMILES notation for 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione?
The canonical SMILES for 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione is O=C1NC(=O)C2C3CCCC(CC3)C12.
What is the InChIKey of 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione?
The InChIKey is BEAYPSZVNUHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-8-6-2-1-3-7(5-4-6)9(8)11(14)12-10/h6-9H,1-5H2,(H,12,13,14).
What are the key properties of 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione?
4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione is sourced from PubChem (CID 14086434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).