9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione

C₈H₁₁N₃O₃ — CID 155072759

About 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione

9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione (PubChem CID 155072759) has the molecular formula C₈H₁₁N₃O₃ and a molecular weight of 197.19 g/mol. Its IUPAC name is 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione.

Molecular Properties

• Compound Name: 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
• PubChem CID: 155072759
• Molecular Formula: C₈H₁₁N₃O₃
• Molecular Weight: 197.19 g/mol
• Exact Mass: 197.08
• IUPAC Name: 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
• SMILES: O=C1NCC2CC3CN(C(=O)N3O)C12
• InChI: InChI=1S/C8H11N3O3/c12-7-6-4(2-9-7)1-5-3-10(6)8(13)11(5)14/h4-6,14H,1-3H2,(H,9,12)
• InChIKey: OWBIWXQBHVVZQZ-UHFFFAOYSA-N
• XLogP: -1.00
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.19
LogP ≤ 5	-1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?

The IUPAC name of 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione (CID 155072759) is 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione.

What is the SMILES notation for 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?

The canonical SMILES for 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione is O=C1NCC2CC3CN(C(=O)N3O)C12.

What is the InChIKey of 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?

The InChIKey is OWBIWXQBHVVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7-6-4(2-9-7)1-5-3-10(6)8(13)11(5)14/h4-6,14H,1-3H2,(H,9,12).

What are the key properties of 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione?

9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione has a molecular weight of 197.19 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione is sourced from PubChem (CID 155072759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155072759 — identifiers, structure, computed properties (public domain)

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