1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone

C10H10N2O4 — CID 4714731

IUPAC1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
SMILESO=C1CCC2C(=O)N3C(=O)CCC3C(=O)N12
InChIInChI=1S/C10H10N2O4/c13-7-3-1-5-9(15)12-6(2-4-8(12)14)10(16)11(5)7/h5-6H,1-4H2
InChIKeyTXFYQWADOFKHHB-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.96
Rot. Bonds

About 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone

1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone (PubChem CID 4714731) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone.

Molecular Properties

Compound Name1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
PubChem CID4714731
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
SMILESO=C1CCC2C(=O)N3C(=O)CCC3C(=O)N12
InChIInChI=1S/C10H10N2O4/c13-7-3-1-5-9(15)12-6(2-4-8(12)14)10(16)11(5)7/h5-6H,1-4H2
InChIKeyTXFYQWADOFKHHB-UHFFFAOYSA-N
XLogP-0.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-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 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The IUPAC name of 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone (CID 4714731) is 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone.
What is the SMILES notation for 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The canonical SMILES for 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone is O=C1CCC2C(=O)N3C(=O)CCC3C(=O)N12.
What is the InChIKey of 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The InChIKey is TXFYQWADOFKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-7-3-1-5-9(15)12-6(2-4-8(12)14)10(16)11(5)7/h5-6H,1-4H2.
What are the key properties of 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone has a molecular weight of 222.20 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone is sourced from PubChem (CID 4714731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).