(3-oxocyclopenten-1-yl) propanoate

C8H10O3 — CID 54496360

IUPAC(3-oxocyclopenten-1-yl) propanoate
SMILESCCC(=O)OC1=CC(=O)CC1
InChIInChI=1S/C8H10O3/c1-2-8(10)11-7-4-3-6(9)5-7/h5H,2-4H2,1H3
InChIKeyXZJUABPSYYCWRE-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.19
Rot. Bonds2

About (3-oxocyclopenten-1-yl) propanoate

(3-oxocyclopenten-1-yl) propanoate (PubChem CID 54496360) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3-oxocyclopenten-1-yl) propanoate.

Molecular Properties

Compound Name(3-oxocyclopenten-1-yl) propanoate
PubChem CID54496360
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3-oxocyclopenten-1-yl) propanoate
SMILESCCC(=O)OC1=CC(=O)CC1
InChIInChI=1S/C8H10O3/c1-2-8(10)11-7-4-3-6(9)5-7/h5H,2-4H2,1H3
InChIKeyXZJUABPSYYCWRE-UHFFFAOYSA-N
XLogP1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclopenten-1-yl) propanoate?
The IUPAC name of (3-oxocyclopenten-1-yl) propanoate (CID 54496360) is (3-oxocyclopenten-1-yl) propanoate.
What is the SMILES notation for (3-oxocyclopenten-1-yl) propanoate?
The canonical SMILES for (3-oxocyclopenten-1-yl) propanoate is CCC(=O)OC1=CC(=O)CC1.
What is the InChIKey of (3-oxocyclopenten-1-yl) propanoate?
The InChIKey is XZJUABPSYYCWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-8(10)11-7-4-3-6(9)5-7/h5H,2-4H2,1H3.
What are the key properties of (3-oxocyclopenten-1-yl) propanoate?
(3-oxocyclopenten-1-yl) propanoate has a molecular weight of 154.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopenten-1-yl) propanoate is sourced from PubChem (CID 54496360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).