ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate

C10H14O3 — CID 58009992

IUPACethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C=C1CC
InChIInChI=1S/C10H14O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h5,9H,3-4,6H2,1-2H3
InChIKeyGQHRSNRVVLRLLN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate

ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate (PubChem CID 58009992) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate
PubChem CID58009992
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C=C1CC
InChIInChI=1S/C10H14O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h5,9H,3-4,6H2,1-2H3
InChIKeyGQHRSNRVVLRLLN-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate (CID 58009992) is ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate is CCOC(=O)C1CC(=O)C=C1CC.
What is the InChIKey of ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate?
The InChIKey is GQHRSNRVVLRLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h5,9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate?
ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 58009992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).