ethyl 5-chlorocyclopentene-1-carboxylate

C8H11ClO2 — CID 122525694

IUPACethyl 5-chlorocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1Cl
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3
InChIKeyHYSVLVXYFJRCGF-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.88
Rot. Bonds2

About ethyl 5-chlorocyclopentene-1-carboxylate

ethyl 5-chlorocyclopentene-1-carboxylate (PubChem CID 122525694) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is ethyl 5-chlorocyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-chlorocyclopentene-1-carboxylate
PubChem CID122525694
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Nameethyl 5-chlorocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1Cl
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3
InChIKeyHYSVLVXYFJRCGF-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chlorocyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-chlorocyclopentene-1-carboxylate (CID 122525694) is ethyl 5-chlorocyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-chlorocyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-chlorocyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1Cl.
What is the InChIKey of ethyl 5-chlorocyclopentene-1-carboxylate?
The InChIKey is HYSVLVXYFJRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7H,2-3,5H2,1H3.
What are the key properties of ethyl 5-chlorocyclopentene-1-carboxylate?
ethyl 5-chlorocyclopentene-1-carboxylate has a molecular weight of 174.63 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chlorocyclopentene-1-carboxylate is sourced from PubChem (CID 122525694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).