(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone

C10H10N2O4 — CID 667651

IUPAC(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
SMILESO=C1CC[C@H]2C(=O)N3C(=O)CC[C@H]3C(=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/t5-,6-/m0/s1
InChIKeyTXFYQWADOFKHHB-WDSKDSINSA-N
MW222.20 g/mol
LogP-0.96
Rot. Bonds

About (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone

(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone (PubChem CID 667651) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone.

Molecular Properties

Compound Name(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
PubChem CID667651
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
SMILESO=C1CC[C@H]2C(=O)N3C(=O)CC[C@H]3C(=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/t5-,6-/m0/s1
InChIKeyTXFYQWADOFKHHB-WDSKDSINSA-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 (3S,9S)-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 (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The IUPAC name of (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone (CID 667651) is (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone.
What is the SMILES notation for (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The canonical SMILES for (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone is O=C1CC[C@H]2C(=O)N3C(=O)CC[C@H]3C(=O)N12.
What is the InChIKey of (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
The InChIKey is TXFYQWADOFKHHB-WDSKDSINSA-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/t5-,6-/m0/s1.
What are the key properties of (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone?
(3S,9S)-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 (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone is sourced from PubChem (CID 667651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).