2-(1-ethenylcyclopropyl)acetic acid

C7H10O2 — CID 67500865

IUPAC2-(1-ethenylcyclopropyl)acetic acid
SMILESC=CC1(CC(=O)O)CC1
InChIInChI=1S/C7H10O2/c1-2-7(3-4-7)5-6(8)9/h2H,1,3-5H2,(H,8,9)
InChIKeyVMXFLQZLCQIDFM-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds3

About 2-(1-ethenylcyclopropyl)acetic acid

2-(1-ethenylcyclopropyl)acetic acid (PubChem CID 67500865) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-(1-ethenylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-ethenylcyclopropyl)acetic acid
PubChem CID67500865
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-(1-ethenylcyclopropyl)acetic acid
SMILESC=CC1(CC(=O)O)CC1
InChIInChI=1S/C7H10O2/c1-2-7(3-4-7)5-6(8)9/h2H,1,3-5H2,(H,8,9)
InChIKeyVMXFLQZLCQIDFM-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-ethenylcyclopropyl)acetic 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

1-Allylcyclopropanecarboxylic acid
CID 556871
rac-(1R,2S)-2-ethenylcyclopropane-1-carboxylic acid
CID 12261402
1-Ethenylcyclopropane-1-carboxylic acid
CID 12510961
3,3-Dimethylhex-5-enoic acid
CID 12676510
rac-(1R,2R)-2-ethenylcyclopropane-1-carboxylic acid
CID 55300474
2,2-Dimethyl-3-vinyl cyclopropane carboxylic
CID 565378
Cyclopropanecarboxylic acid, 2-ethenyl-
CID 10942379
2-Vinyl-2-methylcyclopropane-1-carboxylic acid
CID 12261404
2-Ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 163617580
rel-(1S,2R)-2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 166561075
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, cis-
CID 55300613
2,2-Bis(ethenyl)cyclopropane-1-carboxylic acid
CID 53483524

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-ethenylcyclopropyl)acetic acid (CID 67500865) is 2-(1-ethenylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-ethenylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-ethenylcyclopropyl)acetic acid is C=CC1(CC(=O)O)CC1.
What is the InChIKey of 2-(1-ethenylcyclopropyl)acetic acid?
The InChIKey is VMXFLQZLCQIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7(3-4-7)5-6(8)9/h2H,1,3-5H2,(H,8,9).
What are the key properties of 2-(1-ethenylcyclopropyl)acetic acid?
2-(1-ethenylcyclopropyl)acetic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclopropyl)acetic acid is sourced from PubChem (CID 67500865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).