2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid

C11H12O2 — CID 129050582

IUPAC2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid
SMILESO=C(O)C1=C(C=C2C=CCCC2)C1
InChIInChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h2,4,6H,1,3,5,7H2,(H,12,13)
InChIKeyOXIWXNJFFVKRCE-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.44
Rot. Bonds2

About 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid

2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid (PubChem CID 129050582) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid
PubChem CID129050582
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid
SMILESO=C(O)C1=C(C=C2C=CCCC2)C1
InChIInChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h2,4,6H,1,3,5,7H2,(H,12,13)
InChIKeyOXIWXNJFFVKRCE-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid?
The IUPAC name of 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid (CID 129050582) is 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid?
The canonical SMILES for 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid is O=C(O)C1=C(C=C2C=CCCC2)C1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid?
The InChIKey is OXIWXNJFFVKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h2,4,6H,1,3,5,7H2,(H,12,13).
What are the key properties of 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid?
2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid has a molecular weight of 176.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid is sourced from PubChem (CID 129050582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).