ethyl 2-(3-oxocyclopenten-1-yl)acetate

C9H12O3 — CID 14612268

IUPACethyl 2-(3-oxocyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CC(=O)CC1
InChIInChI=1S/C9H12O3/c1-2-12-9(11)6-7-3-4-8(10)5-7/h5H,2-4,6H2,1H3
InChIKeyPAETWXXKHJVBNO-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2-(3-oxocyclopenten-1-yl)acetate

ethyl 2-(3-oxocyclopenten-1-yl)acetate (PubChem CID 14612268) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is ethyl 2-(3-oxocyclopenten-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxocyclopenten-1-yl)acetate
PubChem CID14612268
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Nameethyl 2-(3-oxocyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CC(=O)CC1
InChIInChI=1S/C9H12O3/c1-2-12-9(11)6-7-3-4-8(10)5-7/h5H,2-4,6H2,1H3
InChIKeyPAETWXXKHJVBNO-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3-oxocyclopenten-1-yl)acetate 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
1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 106571
Prop-2-ynyl 5-(3-oxocyclopropen-1-yl)pentanoate
CID 166628231
Ethyl (1'-cyclohexenyl)acetate
CID 138327
Methyl 5-oxocyclopent-1-ene-1-heptanoate
CID 2777884
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-(4-methylpent-3-enyl)oxolan-2-one
CID 163195250
Methyl 2-(cyclohexen-1-yl)-2-oxoacetate
CID 10442080
1-Cyclopentene-1-propanoic acid, 5-oxo-, methyl ester
CID 11073810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxocyclopenten-1-yl)acetate?
The IUPAC name of ethyl 2-(3-oxocyclopenten-1-yl)acetate (CID 14612268) is ethyl 2-(3-oxocyclopenten-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxocyclopenten-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxocyclopenten-1-yl)acetate is CCOC(=O)CC1=CC(=O)CC1.
What is the InChIKey of ethyl 2-(3-oxocyclopenten-1-yl)acetate?
The InChIKey is PAETWXXKHJVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-12-9(11)6-7-3-4-8(10)5-7/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 2-(3-oxocyclopenten-1-yl)acetate?
ethyl 2-(3-oxocyclopenten-1-yl)acetate has a molecular weight of 168.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxocyclopenten-1-yl)acetate is sourced from PubChem (CID 14612268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).