2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid

C9H10O3 — CID 141207930

IUPAC2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)C1=CC2CCC1C2
InChIInChI=1S/C9H10O3/c10-8(9(11)12)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H,11,12)
InChIKeyDLLFAXQFVNEYMP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid

2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid (PubChem CID 141207930) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid
PubChem CID141207930
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)C1=CC2CCC1C2
InChIInChI=1S/C9H10O3/c10-8(9(11)12)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H,11,12)
InChIKeyDLLFAXQFVNEYMP-UHFFFAOYSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bicyclo(2.2.1)hept-2-ene-2-carboxylic acid
CID 281894
(3aS,4S)-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylic acid
CID 96011066
4-Oxo-indanoyl carboxylic acid
CID 129775050
4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
CID 348408
2-(Cyclohexen-1-yl)-2-oxoacetic acid
CID 9989440
2-[4-(5-Oxocyclopent-1-en-1-yl)butyl]cyclopropane-1-carboxylic acid
CID 20347242
5-Methylidenebicyclo[2.2.1]hept-2-ene-2-carboxylic acid
CID 20555413
2-(6-Carboxyheptyl)-2-cyclopentenone
CID 21767813
2-(6-Carboxyoctyl)-2-cyclopentenone
CID 21767816
2-(2-Bicyclo[2.2.1]hept-2-enyl)acetic acid
CID 54246337
Bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid
CID 56979456
4-(2-Bicyclo[2.2.1]hept-2-enyl)-2-methylidenebutanoic acid
CID 57122665

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid (CID 141207930) is 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid is O=C(O)C(=O)C1=CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid?
The InChIKey is DLLFAXQFVNEYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8(9(11)12)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H,11,12).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid?
2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid has a molecular weight of 166.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid is sourced from PubChem (CID 141207930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).