bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid

C10H10O6 — CID 141446515

IUPACbicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid
SMILESO=C(O)C12C=CC(C1)CC2(C(=O)O)C(=O)O
InChIInChI=1S/C10H10O6/c11-6(12)9-2-1-5(3-9)4-10(9,7(13)14)8(15)16/h1-2,5H,3-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYFONTNAAEYCUSQ-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.19
Rot. Bonds3

About bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid

bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid (PubChem CID 141446515) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid
PubChem CID141446515
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namebicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid
SMILESO=C(O)C12C=CC(C1)CC2(C(=O)O)C(=O)O
InChIInChI=1S/C10H10O6/c11-6(12)9-2-1-5(3-9)4-10(9,7(13)14)8(15)16/h1-2,5H,3-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYFONTNAAEYCUSQ-UHFFFAOYSA-N
XLogP0.19
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid 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 bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid (CID 141446515) is bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid is O=C(O)C12C=CC(C1)CC2(C(=O)O)C(=O)O.
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid?
The InChIKey is YFONTNAAEYCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-6(12)9-2-1-5(3-9)4-10(9,7(13)14)8(15)16/h1-2,5H,3-4H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid?
bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid has a molecular weight of 226.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid is sourced from PubChem (CID 141446515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).