ethyl 2-chloro-2-formylcyclopropane-1-carboxylate

C7H9ClO3 — CID 130035467

IUPACethyl 2-chloro-2-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(Cl)C=O
InChIInChI=1S/C7H9ClO3/c1-2-11-6(10)5-3-7(5,8)4-9/h4-5H,2-3H2,1H3
InChIKeyZKIXWFKDCCAURO-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.75
Rot. Bonds3

About ethyl 2-chloro-2-formylcyclopropane-1-carboxylate

ethyl 2-chloro-2-formylcyclopropane-1-carboxylate (PubChem CID 130035467) has the molecular formula C7H9ClO3 and a molecular weight of 176.60 g/mol. Its IUPAC name is ethyl 2-chloro-2-formylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-2-formylcyclopropane-1-carboxylate
PubChem CID130035467
Molecular FormulaC7H9ClO3
Molecular Weight176.60 g/mol
Exact Mass176.02
IUPAC Nameethyl 2-chloro-2-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(Cl)C=O
InChIInChI=1S/C7H9ClO3/c1-2-11-6(10)5-3-7(5,8)4-9/h4-5H,2-3H2,1H3
InChIKeyZKIXWFKDCCAURO-UHFFFAOYSA-N
XLogP0.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-chloro-2-formylcyclopropane-1-carboxylate 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

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445
ethyl 4-formyl-4-hydroxycyclohexane-1-carboxylate
CID 118208123
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-formylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-chloro-2-formylcyclopropane-1-carboxylate (CID 130035467) is ethyl 2-chloro-2-formylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-chloro-2-formylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-chloro-2-formylcyclopropane-1-carboxylate is CCOC(=O)C1CC1(Cl)C=O.
What is the InChIKey of ethyl 2-chloro-2-formylcyclopropane-1-carboxylate?
The InChIKey is ZKIXWFKDCCAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3/c1-2-11-6(10)5-3-7(5,8)4-9/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 2-chloro-2-formylcyclopropane-1-carboxylate?
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate has a molecular weight of 176.60 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-formylcyclopropane-1-carboxylate is sourced from PubChem (CID 130035467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).