ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate

C11H16O3 — CID 144911800

IUPACethyl 2-acetyl-4-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C(C)=O)CC(C)C1
InChIInChI=1S/C11H16O3/c1-4-14-11(13)10-6-7(2)5-9(10)8(3)12/h7H,4-6H2,1-3H3
InChIKeyVLVDQSGXUCYYAP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate

ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate (PubChem CID 144911800) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyl-4-methylcyclopentene-1-carboxylate
PubChem CID144911800
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 2-acetyl-4-methylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(C(C)=O)CC(C)C1
InChIInChI=1S/C11H16O3/c1-4-14-11(13)10-6-7(2)5-9(10)8(3)12/h7H,4-6H2,1-3H3
InChIKeyVLVDQSGXUCYYAP-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Isobenzofurandione, tetrahydro-5-methyl-
CID 118131
MKN-003a
CID 11075054
1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
(5Alpha,8Alpha)-2-Oxo-1(10),3,7(11)-Guaiatrien-12,8-Olide
CID 3013843
2-Hexyl-3-methylmaleic anhydride
CID 11127184
(9E)-3,6,10-trimethyl-4,6,7,8,11,11a-hexahydrocyclodeca[b]furan-2,5-dione
CID 71694469
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
(6E,10R,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 15523780
Cyclohexene-1,2-dicarboxylic acid, bis(2-ethylhexyl) ester
CID 94201
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
(2S)-2-(6-methyl-7-oxooctyl)-2H-furan-5-one
CID 10799173
Curdionolide B
CID 44254211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate (CID 144911800) is ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate is CCOC(=O)C1=C(C(C)=O)CC(C)C1.
What is the InChIKey of ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate?
The InChIKey is VLVDQSGXUCYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-14-11(13)10-6-7(2)5-9(10)8(3)12/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate?
ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-4-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 144911800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).