(3-oxocyclopenten-1-yl) acetate

C7H8O3 — CID 536144

IUPAC(3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=CC(=O)CC1
InChIInChI=1S/C7H8O3/c1-5(8)10-7-3-2-6(9)4-7/h4H,2-3H2,1H3
InChIKeyNUDBOGKLPOMBMP-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.80
Rot. Bonds1

About (3-oxocyclopenten-1-yl) acetate

(3-oxocyclopenten-1-yl) acetate (PubChem CID 536144) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3-oxocyclopenten-1-yl) acetate.

Molecular Properties

Compound Name(3-oxocyclopenten-1-yl) acetate
PubChem CID536144
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=CC(=O)CC1
InChIInChI=1S/C7H8O3/c1-5(8)10-7-3-2-6(9)4-7/h4H,2-3H2,1H3
InChIKeyNUDBOGKLPOMBMP-UHFFFAOYSA-N
XLogP0.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.80
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) acetate?
The IUPAC name of (3-oxocyclopenten-1-yl) acetate (CID 536144) is (3-oxocyclopenten-1-yl) acetate.
What is the SMILES notation for (3-oxocyclopenten-1-yl) acetate?
The canonical SMILES for (3-oxocyclopenten-1-yl) acetate is CC(=O)OC1=CC(=O)CC1.
What is the InChIKey of (3-oxocyclopenten-1-yl) acetate?
The InChIKey is NUDBOGKLPOMBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(8)10-7-3-2-6(9)4-7/h4H,2-3H2,1H3.
What are the key properties of (3-oxocyclopenten-1-yl) acetate?
(3-oxocyclopenten-1-yl) acetate has a molecular weight of 140.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopenten-1-yl) acetate is sourced from PubChem (CID 536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).