2-ethenylcyclopropane-1-carboxylic acid

C6H8O2 — CID 10942379

IUPAC2-ethenylcyclopropane-1-carboxylic acid
SMILESC=CC1CC1C(=O)O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,4-5H,1,3H2,(H,7,8)
InChIKeyRITCJGIGTNSDKO-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.89
Rot. Bonds2

About 2-ethenylcyclopropane-1-carboxylic acid

2-ethenylcyclopropane-1-carboxylic acid (PubChem CID 10942379) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethenylcyclopropane-1-carboxylic acid
PubChem CID10942379
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-ethenylcyclopropane-1-carboxylic acid
SMILESC=CC1CC1C(=O)O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,4-5H,1,3H2,(H,7,8)
InChIKeyRITCJGIGTNSDKO-UHFFFAOYSA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethenylcyclopropane-1-carboxylic acid (CID 10942379) is 2-ethenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethenylcyclopropane-1-carboxylic acid is C=CC1CC1C(=O)O.
What is the InChIKey of 2-ethenylcyclopropane-1-carboxylic acid?
The InChIKey is RITCJGIGTNSDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,4-5H,1,3H2,(H,7,8).
What are the key properties of 2-ethenylcyclopropane-1-carboxylic acid?
2-ethenylcyclopropane-1-carboxylic acid has a molecular weight of 112.13 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10942379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).