ethyl 2-acetylcyclopent-2-ene-1-carboxylate

C10H14O3 — CID 144911908

IUPACethyl 2-acetylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1CCC=C1C(C)=O
InChIInChI=1S/C10H14O3/c1-3-13-10(12)9-6-4-5-8(9)7(2)11/h5,9H,3-4,6H2,1-2H3
InChIKeyYQNFLXTZFNWYOO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-acetylcyclopent-2-ene-1-carboxylate

ethyl 2-acetylcyclopent-2-ene-1-carboxylate (PubChem CID 144911908) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-acetylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetylcyclopent-2-ene-1-carboxylate
PubChem CID144911908
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 2-acetylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1CCC=C1C(C)=O
InChIInChI=1S/C10H14O3/c1-3-13-10(12)9-6-4-5-8(9)7(2)11/h5,9H,3-4,6H2,1-2H3
InChIKeyYQNFLXTZFNWYOO-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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Related Compounds

4-Carbethoxy-3-methyl-2-cyclohexen-1-one
CID 79020
(1E,4S,10Z,13S)-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467368
Methyl 5-oxocyclohex-3-ene-1-carboxylate
CID 12647064
Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
Desepoxy-4,5-didehydromethylenomycin A
CID 102509096
(4S)-4-[(3E)-3,7-dimethyl-5-oxoocta-3,6-dienyl]-3-methylideneoxolan-2-one
CID 163106422
Ethyl 5-acetylcyclopentene-1-carboxylate
CID 10329981
(1E,4S,10Z,13S)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 117990622
(1E,4S,9Z,12S)-4-[(2Z,5Z)-octa-2,5-dienyl]-5-oxabicyclo[10.3.0]pentadeca-1,9,13-triene-6,15-dione
CID 130467621
(1E,4R,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467644
Ethyl 5-oxocyclohex-3-ene-1-carboxylate
CID 15615678
2-(5-Oxocyclopent-1-en-1-yl)ethyl acetate
CID 13075020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-acetylcyclopent-2-ene-1-carboxylate (CID 144911908) is ethyl 2-acetylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-acetylcyclopent-2-ene-1-carboxylate is CCOC(=O)C1CCC=C1C(C)=O.
What is the InChIKey of ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
The InChIKey is YQNFLXTZFNWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-13-10(12)9-6-4-5-8(9)7(2)11/h5,9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-acetylcyclopent-2-ene-1-carboxylate?
ethyl 2-acetylcyclopent-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-acetylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 144911908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).