5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid

C9H10O2 — CID 20555413

IUPAC5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid
SMILESC=C1CC2CC1C=C2C(=O)O
InChIInChI=1S/C9H10O2/c1-5-2-7-3-6(5)4-8(7)9(10)11/h4,6-7H,1-3H2,(H,10,11)
InChIKeyHTMLCLWSCUKWRR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.59
Rot. Bonds1

About 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid

5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid (PubChem CID 20555413) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid
PubChem CID20555413
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid
SMILESC=C1CC2CC1C=C2C(=O)O
InChIInChI=1S/C9H10O2/c1-5-2-7-3-6(5)4-8(7)9(10)11/h4,6-7H,1-3H2,(H,10,11)
InChIKeyHTMLCLWSCUKWRR-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic 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 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The IUPAC name of 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid (CID 20555413) is 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid is C=C1CC2CC1C=C2C(=O)O.
What is the InChIKey of 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
The InChIKey is HTMLCLWSCUKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-2-7-3-6(5)4-8(7)9(10)11/h4,6-7H,1-3H2,(H,10,11).
What are the key properties of 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid?
5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid has a molecular weight of 150.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 20555413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).