ethyl 4-acetylcyclopentene-1-carboxylate

C10H14O3 — CID 10442335

IUPACethyl 4-acetylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCC(C(C)=O)C1
InChIInChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h5,8H,3-4,6H2,1-2H3
InChIKeyQWEOCYSFWKYLBV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds3

About ethyl 4-acetylcyclopentene-1-carboxylate

ethyl 4-acetylcyclopentene-1-carboxylate (PubChem CID 10442335) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 4-acetylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetylcyclopentene-1-carboxylate
PubChem CID10442335
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 4-acetylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCC(C(C)=O)C1
InChIInChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h5,8H,3-4,6H2,1-2H3
InChIKeyQWEOCYSFWKYLBV-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 4-acetylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 4-acetylcyclopentene-1-carboxylate (CID 10442335) is ethyl 4-acetylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 4-acetylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 4-acetylcyclopentene-1-carboxylate is CCOC(=O)C1=CCC(C(C)=O)C1.
What is the InChIKey of ethyl 4-acetylcyclopentene-1-carboxylate?
The InChIKey is QWEOCYSFWKYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(6-9)7(2)11/h5,8H,3-4,6H2,1-2H3.
What are the key properties of ethyl 4-acetylcyclopentene-1-carboxylate?
ethyl 4-acetylcyclopentene-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 4-acetylcyclopentene-1-carboxylate is sourced from PubChem (CID 10442335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).