5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione

C10H15NO2 — CID 5222842

IUPAC5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione
SMILESCC12NC(=O)C(CCC1=O)C2(C)C
InChIInChI=1S/C10H15NO2/c1-9(2)6-4-5-7(12)10(9,3)11-8(6)13/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyIJVVJJPJJAOLKI-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.88
Rot. Bonds

About 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione

5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione (PubChem CID 5222842) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione.

Molecular Properties

Compound Name5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione
PubChem CID5222842
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione
SMILESCC12NC(=O)C(CCC1=O)C2(C)C
InChIInChI=1S/C10H15NO2/c1-9(2)6-4-5-7(12)10(9,3)11-8(6)13/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyIJVVJJPJJAOLKI-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-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 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione?
The IUPAC name of 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione (CID 5222842) is 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione.
What is the SMILES notation for 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione?
The canonical SMILES for 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione is CC12NC(=O)C(CCC1=O)C2(C)C.
What is the InChIKey of 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione?
The InChIKey is IJVVJJPJJAOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(2)6-4-5-7(12)10(9,3)11-8(6)13/h6H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione?
5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione has a molecular weight of 181.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione is sourced from PubChem (CID 5222842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).