(4-methyl-2-oxocyclopent-3-en-1-yl) acetate

C8H10O3 — CID 11309625

IUPAC(4-methyl-2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC(C)=CC1=O
InChIInChI=1S/C8H10O3/c1-5-3-7(10)8(4-5)11-6(2)9/h3,8H,4H2,1-2H3
InChIKeyGMJJXIJTRHSHMC-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About (4-methyl-2-oxocyclopent-3-en-1-yl) acetate

(4-methyl-2-oxocyclopent-3-en-1-yl) acetate (PubChem CID 11309625) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (4-methyl-2-oxocyclopent-3-en-1-yl) acetate.

Molecular Properties

Compound Name(4-methyl-2-oxocyclopent-3-en-1-yl) acetate
PubChem CID11309625
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(4-methyl-2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC(C)=CC1=O
InChIInChI=1S/C8H10O3/c1-5-3-7(10)8(4-5)11-6(2)9/h3,8H,4H2,1-2H3
InChIKeyGMJJXIJTRHSHMC-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The IUPAC name of (4-methyl-2-oxocyclopent-3-en-1-yl) acetate (CID 11309625) is (4-methyl-2-oxocyclopent-3-en-1-yl) acetate.
What is the SMILES notation for (4-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The canonical SMILES for (4-methyl-2-oxocyclopent-3-en-1-yl) acetate is CC(=O)OC1CC(C)=CC1=O.
What is the InChIKey of (4-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The InChIKey is GMJJXIJTRHSHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-7(10)8(4-5)11-6(2)9/h3,8H,4H2,1-2H3.
What are the key properties of (4-methyl-2-oxocyclopent-3-en-1-yl) acetate?
(4-methyl-2-oxocyclopent-3-en-1-yl) acetate has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxocyclopent-3-en-1-yl) acetate is sourced from PubChem (CID 11309625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).