3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid

C11H10O4 — CID 67872781

IUPAC3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
SMILESO=C(O)C1=C(O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C11H10O4/c12-9-6-4-1-2-5(3-4)7(6)10(13)8(9)11(14)15/h1-2,4-7,12H,3H2,(H,14,15)
InChIKeyGLALKOHJSMCURC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.90
Rot. Bonds1

About 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid

3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid (PubChem CID 67872781) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
PubChem CID67872781
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
SMILESO=C(O)C1=C(O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C11H10O4/c12-9-6-4-1-2-5(3-4)7(6)10(13)8(9)11(14)15/h1-2,4-7,12H,3H2,(H,14,15)
InChIKeyGLALKOHJSMCURC-UHFFFAOYSA-N
XLogP0.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The IUPAC name of 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid (CID 67872781) is 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid is O=C(O)C1=C(O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The InChIKey is GLALKOHJSMCURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-9-6-4-1-2-5(3-4)7(6)10(13)8(9)11(14)15/h1-2,4-7,12H,3H2,(H,14,15).
What are the key properties of 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid is sourced from PubChem (CID 67872781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).