4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

C9H9NO3 — CID 18347836

IUPAC4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESO=C1C2=C(C(=O)N1O)C1CCC2C1
InChIInChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,13H,1-3H2
InChIKeyGBZRHYUEHYCWAN-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.47
Rot. Bonds

About 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (PubChem CID 18347836) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.

Molecular Properties

Compound Name4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
PubChem CID18347836
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESO=C1C2=C(C(=O)N1O)C1CCC2C1
InChIInChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,13H,1-3H2
InChIKeyGBZRHYUEHYCWAN-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The IUPAC name of 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (CID 18347836) is 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.
What is the SMILES notation for 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The canonical SMILES for 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is O=C1C2=C(C(=O)N1O)C1CCC2C1.
What is the InChIKey of 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The InChIKey is GBZRHYUEHYCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h4-5,13H,1-3H2.
What are the key properties of 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione has a molecular weight of 179.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is sourced from PubChem (CID 18347836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).