6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C9H12O2 — CID 13205155

IUPAC6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCC1=CC2CC(C(=O)O)C1C2
InChIInChI=1S/C9H12O2/c1-5-2-6-3-7(5)8(4-6)9(10)11/h2,6-8H,3-4H2,1H3,(H,10,11)
InChIKeyXXEFUWDFUQMWMK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.67
Rot. Bonds1

About 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 13205155) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID13205155
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCC1=CC2CC(C(=O)O)C1C2
InChIInChI=1S/C9H12O2/c1-5-2-6-3-7(5)8(4-6)9(10)11/h2,6-8H,3-4H2,1H3,(H,10,11)
InChIKeyXXEFUWDFUQMWMK-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4R)-6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 70990422
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2,7-dimethylbicyclo[3.2.1]oct-6-en-3-one
CID 71403444
bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide
CID 70371800
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
4-amino-2-methylcyclopent-2-ene-1-carboxylic acid
CID 153401891
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 13205155) is 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is CC1=CC2CC(C(=O)O)C1C2.
What is the InChIKey of 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is XXEFUWDFUQMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-5-2-6-3-7(5)8(4-6)9(10)11/h2,6-8H,3-4H2,1H3,(H,10,11).
What are the key properties of 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 152.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 13205155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).