ethyl 3-(3-oxocyclopenten-1-yl)propanoate

C10H14O3 — CID 14175309

IUPACethyl 3-(3-oxocyclopenten-1-yl)propanoate
SMILESCCOC(=O)CCC1=CC(=O)CC1
InChIInChI=1S/C10H14O3/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h7H,2-6H2,1H3
InChIKeyMIYPFRIUSJIIHG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About ethyl 3-(3-oxocyclopenten-1-yl)propanoate

ethyl 3-(3-oxocyclopenten-1-yl)propanoate (PubChem CID 14175309) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 3-(3-oxocyclopenten-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-oxocyclopenten-1-yl)propanoate
PubChem CID14175309
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 3-(3-oxocyclopenten-1-yl)propanoate
SMILESCCOC(=O)CCC1=CC(=O)CC1
InChIInChI=1S/C10H14O3/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h7H,2-6H2,1H3
InChIKeyMIYPFRIUSJIIHG-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-oxocyclopenten-1-yl)propanoate 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-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
CID 90634
1-Cyclohexene-1-acetic acid, 1-methylethyl ester
CID 175572
Prop-2-ynyl 5-(3-oxocyclopropen-1-yl)pentanoate
CID 166628231
(E)-ethyl 8-oxohexadec-9-enoate
CID 10266599
(E)-ethyl 8-oxooctadec-9-enoate
CID 11088644
Ethyl (1'-cyclohexenyl)acetate
CID 138327
Methyl 5-oxocyclopent-1-ene-1-heptanoate
CID 2777884
3-Cyclohex-1-Enyl-Propionic Acid Ethyl Ester
CID 10726120
3-(3-Oxo-cyclopent-1-enyl)-propionic acid methyl ester
CID 11182843
Ethyl 5-oxocyclopent-1-ene-1-heptanoate
CID 15573491
methyl (7E)-7-(2-oxocyclopent-3-en-1-ylidene)heptanoate
CID 44442761
(5S)-5-Methyl-4-(12-oxononacosyl)-2(5H)-furanone
CID 163104542

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-oxocyclopenten-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-oxocyclopenten-1-yl)propanoate (CID 14175309) is ethyl 3-(3-oxocyclopenten-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-oxocyclopenten-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-oxocyclopenten-1-yl)propanoate is CCOC(=O)CCC1=CC(=O)CC1.
What is the InChIKey of ethyl 3-(3-oxocyclopenten-1-yl)propanoate?
The InChIKey is MIYPFRIUSJIIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-13-10(12)6-4-8-3-5-9(11)7-8/h7H,2-6H2,1H3.
What are the key properties of ethyl 3-(3-oxocyclopenten-1-yl)propanoate?
ethyl 3-(3-oxocyclopenten-1-yl)propanoate has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-oxocyclopenten-1-yl)propanoate is sourced from PubChem (CID 14175309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).