ethyl 2-chlorocyclopentene-1-carboxylate

C8H11ClO2 — CID 14902751

IUPACethyl 2-chlorocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5H2,1H3
InChIKeyOMDMTTQUHYELSY-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.23
Rot. Bonds2

About ethyl 2-chlorocyclopentene-1-carboxylate

ethyl 2-chlorocyclopentene-1-carboxylate (PubChem CID 14902751) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is ethyl 2-chlorocyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-chlorocyclopentene-1-carboxylate
PubChem CID14902751
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Nameethyl 2-chlorocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5H2,1H3
InChIKeyOMDMTTQUHYELSY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-Dibutylfuran-2,5-dione
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InChI=1/C9H14O3/c1-3-12-9(10)7-5-4-6-8(7)11-2/h3-6H2,1-2H
CID 13205386
4-Butyl-3-methylfuran-2(5H)-one
CID 14341178
Ethyl 2-chloro-3-oxocycloheptene-1-carboxylate
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Methyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12586399
Ethyl 2-trimethylstannylcyclopentene-1-carboxylate
CID 14201358
Sodium 2-ethoxycarbonylcyclopenten-1-olate
CID 23678022
ethyl (2Z)-2-(1-chloroethylidene)hept-6-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorocyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-chlorocyclopentene-1-carboxylate (CID 14902751) is ethyl 2-chlorocyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-chlorocyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-chlorocyclopentene-1-carboxylate is CCOC(=O)C1=C(Cl)CCC1.
What is the InChIKey of ethyl 2-chlorocyclopentene-1-carboxylate?
The InChIKey is OMDMTTQUHYELSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5H2,1H3.
What are the key properties of ethyl 2-chlorocyclopentene-1-carboxylate?
ethyl 2-chlorocyclopentene-1-carboxylate has a molecular weight of 174.63 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorocyclopentene-1-carboxylate is sourced from PubChem (CID 14902751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).