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

C8H11N3O3 — CID 155072759

IUPAC9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
SMILESO=C1NCC2CC3CN(C(=O)N3O)C12
InChIInChI=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)
InChIKeyOWBIWXQBHVVZQZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.00
Rot. Bonds

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 Name9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
PubChem CID155072759
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name9-hydroxy-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
SMILESO=C1NCC2CC3CN(C(=O)N3O)C12
InChIInChI=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)
InChIKeyOWBIWXQBHVVZQZ-UHFFFAOYSA-N
XLogP-1.00
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S,8R)-9-hydroxy-4-methyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
CID 134363334
4-cyclopropyl-9-hydroxy-3-oxo-3λ4-thia-1,4,9-triazatricyclo[6.2.1.02,6]undecan-10-one
CID 166804687
(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346758
2-(6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl)acetaldehyde
CID 123677312
3-amino-5-hydroxypiperidin-2-one
CID 54333644
1-methyl-3,4,4a,5,6,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-7-one
CID 140974394
tert-butyl N-[[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 122525492
tert-butyl N-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 118016875
(3R)-3-hydroxyazetidin-2-one
CID 97184618
(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 153017915
4-oxo-3-azabicyclo[4.1.0]heptane-5-carboxylic acid
CID 177248674
3-amino-1,2,3,4,4a,5,6,7a-octahydropyrrolo[3,4-b]pyridin-7-one
CID 165487345

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).