bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione

C12H12O5 — CID 86584591

IUPACbicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione
SMILESO=C(O)C1CC2C=CC1C2.O=C1C=CC(=O)O1
InChIInChI=1S/C8H10O2.C4H2O3/c9-8(10)7-4-5-1-2-6(7)3-5;5-3-1-2-4(6)7-3/h1-2,5-7H,3-4H2,(H,9,10);1-2H
InChIKeyIOHFZTQMDBVENB-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.91
Rot. Bonds1

About bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione (PubChem CID 86584591) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione
PubChem CID86584591
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Namebicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione
SMILESO=C(O)C1CC2C=CC1C2.O=C1C=CC(=O)O1
InChIInChI=1S/C8H10O2.C4H2O3/c9-8(10)7-4-5-1-2-6(7)3-5;5-3-1-2-4(6)7-3/h1-2,5-7H,3-4H2,(H,9,10);1-2H
InChIKeyIOHFZTQMDBVENB-UHFFFAOYSA-N
XLogP0.91
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-carboxylic acid;furan-2,5-dione 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-2-carboxylic acid;furan-2,5-dione?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione (CID 86584591) is bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione is O=C(O)C1CC2C=CC1C2.O=C1C=CC(=O)O1.
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione?
The InChIKey is IOHFZTQMDBVENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C4H2O3/c9-8(10)7-4-5-1-2-6(7)3-5;5-3-1-2-4(6)7-3/h1-2,5-7H,3-4H2,(H,9,10);1-2H.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione?
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione has a molecular weight of 236.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;furan-2,5-dione is sourced from PubChem (CID 86584591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).