5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

C12H14N2O4 — CID 59678488

IUPAC5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCC1C(=O)NC2C3NC(=O)C(C)C(=O)C3C2C1=O
InChIInChI=1S/C12H14N2O4/c1-3-9(15)5-6-8(7(5)13-11(3)17)14-12(18)4(2)10(6)16/h3-8H,1-2H3,(H,13,17)(H,14,18)
InChIKeyZONAZVPEBOTTSR-UHFFFAOYSA-N
MW250.25 g/mol
LogP-1.36
Rot. Bonds

About 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (PubChem CID 59678488) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.

Molecular Properties

Compound Name5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
PubChem CID59678488
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCC1C(=O)NC2C3NC(=O)C(C)C(=O)C3C2C1=O
InChIInChI=1S/C12H14N2O4/c1-3-9(15)5-6-8(7(5)13-11(3)17)14-12(18)4(2)10(6)16/h3-8H,1-2H3,(H,13,17)(H,14,18)
InChIKeyZONAZVPEBOTTSR-UHFFFAOYSA-N
XLogP-1.36
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone 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 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The IUPAC name of 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (CID 59678488) is 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.
What is the SMILES notation for 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The canonical SMILES for 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is CC1C(=O)NC2C3NC(=O)C(C)C(=O)C3C2C1=O.
What is the InChIKey of 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The InChIKey is ZONAZVPEBOTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-9(15)5-6-8(7(5)13-11(3)17)14-12(18)4(2)10(6)16/h3-8H,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone has a molecular weight of 250.25 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is sourced from PubChem (CID 59678488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).