ethyl 2-(5-oxocyclopenten-1-yl)acetate

C9H12O3 — CID 11355698

IUPACethyl 2-(5-oxocyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h4H,2-3,5-6H2,1H3
InChIKeyPAQFGLVSGZKRTG-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2-(5-oxocyclopenten-1-yl)acetate

ethyl 2-(5-oxocyclopenten-1-yl)acetate (PubChem CID 11355698) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is ethyl 2-(5-oxocyclopenten-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxocyclopenten-1-yl)acetate
PubChem CID11355698
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Nameethyl 2-(5-oxocyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h4H,2-3,5-6H2,1H3
InChIKeyPAQFGLVSGZKRTG-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxocyclopenten-1-yl)acetate?
The IUPAC name of ethyl 2-(5-oxocyclopenten-1-yl)acetate (CID 11355698) is ethyl 2-(5-oxocyclopenten-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxocyclopenten-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxocyclopenten-1-yl)acetate is CCOC(=O)CC1=CCCC1=O.
What is the InChIKey of ethyl 2-(5-oxocyclopenten-1-yl)acetate?
The InChIKey is PAQFGLVSGZKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h4H,2-3,5-6H2,1H3.
What are the key properties of ethyl 2-(5-oxocyclopenten-1-yl)acetate?
ethyl 2-(5-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-(5-oxocyclopenten-1-yl)acetate is sourced from PubChem (CID 11355698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).