2-ethylidenecyclopropane-1-carboxylic acid

C6H8O2 — CID 57193901

IUPAC2-ethylidenecyclopropane-1-carboxylic acid
SMILESCC=C1CC1C(=O)O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,5H,3H2,1H3,(H,7,8)
InChIKeyUUJCNHVCBXWMEX-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.04
Rot. Bonds1

About 2-ethylidenecyclopropane-1-carboxylic acid

2-ethylidenecyclopropane-1-carboxylic acid (PubChem CID 57193901) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethylidenecyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethylidenecyclopropane-1-carboxylic acid
PubChem CID57193901
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-ethylidenecyclopropane-1-carboxylic acid
SMILESCC=C1CC1C(=O)O
InChIInChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,5H,3H2,1H3,(H,7,8)
InChIKeyUUJCNHVCBXWMEX-UHFFFAOYSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.04
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

4-Methyl-3-pentenoic acid
CID 68158
2-Methylcycloprop-2-ene-1-carboxylic acid
CID 12474694
1,4-Dihydro-2-methylbenzoic acid
CID 564581
2-Methylidenecyclopropane-1-carboxylic acid
CID 566633
5-Methyl-4-hexenoic acid
CID 12425324
4-Methylhex-3-enoic acid
CID 14197237
(3Z)-3,7-dimethylocta-3,6-dienoic acid
CID 15109116
(4E)-2-methylhex-4-enoic acid
CID 10290806
3-Methyl-3Z-Pentenoic Acid
CID 5282659
3-Methyl-3-pentenoic acid
CID 12539592
(Z)-3-methyl-3-heptenoic acid
CID 24805352
(E)-3-methyl-3-heptenoic acid
CID 24807772

Frequently Asked Questions

What is the IUPAC name of 2-ethylidenecyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethylidenecyclopropane-1-carboxylic acid (CID 57193901) is 2-ethylidenecyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethylidenecyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethylidenecyclopropane-1-carboxylic acid is CC=C1CC1C(=O)O.
What is the InChIKey of 2-ethylidenecyclopropane-1-carboxylic acid?
The InChIKey is UUJCNHVCBXWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-4-3-5(4)6(7)8/h2,5H,3H2,1H3,(H,7,8).
What are the key properties of 2-ethylidenecyclopropane-1-carboxylic acid?
2-ethylidenecyclopropane-1-carboxylic acid has a molecular weight of 112.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenecyclopropane-1-carboxylic acid is sourced from PubChem (CID 57193901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).