2-methylidenecyclopropane-1-carboxylic acid

C5H6O2 — CID 566633

IUPAC2-methylidenecyclopropane-1-carboxylic acid
SMILESC=C1CC1C(=O)O
InChIInChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)
InChIKeyQJUQASYVMKRUMN-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.65
Rot. Bonds1

About 2-methylidenecyclopropane-1-carboxylic acid

2-methylidenecyclopropane-1-carboxylic acid (PubChem CID 566633) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-methylidenecyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methylidenecyclopropane-1-carboxylic acid
PubChem CID566633
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2-methylidenecyclopropane-1-carboxylic acid
SMILESC=C1CC1C(=O)O
InChIInChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)
InChIKeyQJUQASYVMKRUMN-UHFFFAOYSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidenecyclopropane-1-carboxylic 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

2-Methylenecyclopropaneacetic acid
CID 10214381
(1S)-2-methylidenecyclopropane-1-carboxylic acid
CID 11412347
(1R)-2-methylidenecyclopropane-1-carboxylic acid
CID 54231794
Cyclopropaneacetic acid, 2-methylene-, (S)-
CID 180408
2-[(1R)-2-methylidenecyclopropyl]acetic acid
CID 11051608
(1R)-2-propylidenecyclopropane-1-carboxylic acid
CID 53648458
2-(Oxomethylidene)cyclopropane-1-carboxylic acid
CID 54539751
trans-(1S,2S)-2-methyl-3-methylidenecyclopropane-1-carboxylic acid
CID 55299778
2-Ethylidenecyclopropane-1-carboxylic acid
CID 57193901
(2Z)-2-propylidenecyclopropane-1-carboxylic acid
CID 69612127
2-Propylidenecyclopropane-1-carboxylic acid
CID 76058742
2-Ethenyl-3-(oxomethylidene)cyclopropane-1-carboxylic acid
CID 153905996

Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclopropane-1-carboxylic acid?
The IUPAC name of 2-methylidenecyclopropane-1-carboxylic acid (CID 566633) is 2-methylidenecyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methylidenecyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methylidenecyclopropane-1-carboxylic acid is C=C1CC1C(=O)O.
What is the InChIKey of 2-methylidenecyclopropane-1-carboxylic acid?
The InChIKey is QJUQASYVMKRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7).
What are the key properties of 2-methylidenecyclopropane-1-carboxylic acid?
2-methylidenecyclopropane-1-carboxylic acid has a molecular weight of 98.10 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclopropane-1-carboxylic acid is sourced from PubChem (CID 566633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).