ethyl 2-chloro-2-cyclopropylideneacetate

C7H9ClO2 — CID 11593478

IUPACethyl 2-chloro-2-cyclopropylideneacetate
SMILESCCOC(=O)C(Cl)=C1CC1
InChIInChI=1S/C7H9ClO2/c1-2-10-7(9)6(8)5-3-4-5/h2-4H2,1H3
InChIKeyOJZIIUDQOUBHFI-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.84
Rot. Bonds2

About ethyl 2-chloro-2-cyclopropylideneacetate

ethyl 2-chloro-2-cyclopropylideneacetate (PubChem CID 11593478) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is ethyl 2-chloro-2-cyclopropylideneacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-cyclopropylideneacetate
PubChem CID11593478
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Nameethyl 2-chloro-2-cyclopropylideneacetate
SMILESCCOC(=O)C(Cl)=C1CC1
InChIInChI=1S/C7H9ClO2/c1-2-10-7(9)6(8)5-3-4-5/h2-4H2,1H3
InChIKeyOJZIIUDQOUBHFI-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-chloro-2-cyclopropylideneacetate 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

Methyl 2-chloro-2-cyclopropylideneacetate
CID 370750
Ethyl 2-chloro-3-methylbut-2-enoate
CID 14613355
Methyl 2-chloro-3-ethylpent-2-enoate
CID 19898055
diethyl (Z)-2-chloro-3-ethylbut-2-enedioate
CID 20502827
1-O-ethyl 4-O-methyl (Z)-3-chloro-2-ethylbut-2-enedioate
CID 20502829
Diethyl 2-chloro-3-ethylbut-2-enedioate
CID 54149070
1-O-ethyl 4-O-methyl 3-chloro-2-ethylbut-2-enedioate
CID 54206085
Ethyl 2-chloropent-2-enoate
CID 85965480
Ethyl 2-chloro-3-cyclopropylprop-2-enoate
CID 88693658
diethyl (E)-2-chloro-3-ethylbut-2-enedioate
CID 88731485
1-O-ethyl 4-O-methyl (E)-3-chloro-2-ethylbut-2-enedioate
CID 88732362
1-O-ethyl 4-O-methyl (E)-2-chloro-3-ethylbut-2-enedioate
CID 88732363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-cyclopropylideneacetate?
The IUPAC name of ethyl 2-chloro-2-cyclopropylideneacetate (CID 11593478) is ethyl 2-chloro-2-cyclopropylideneacetate.
What is the SMILES notation for ethyl 2-chloro-2-cyclopropylideneacetate?
The canonical SMILES for ethyl 2-chloro-2-cyclopropylideneacetate is CCOC(=O)C(Cl)=C1CC1.
What is the InChIKey of ethyl 2-chloro-2-cyclopropylideneacetate?
The InChIKey is OJZIIUDQOUBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-2-10-7(9)6(8)5-3-4-5/h2-4H2,1H3.
What are the key properties of ethyl 2-chloro-2-cyclopropylideneacetate?
ethyl 2-chloro-2-cyclopropylideneacetate has a molecular weight of 160.60 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-cyclopropylideneacetate is sourced from PubChem (CID 11593478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).