[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate

C8H10O3 — CID 122215313

IUPAC[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=CC(=O)[C@H]1C
InChIInChI=1S/C8H10O3/c1-5-7(10)3-4-8(5)11-6(2)9/h3-5,8H,1-2H3/t5-,8-/m1/s1
InChIKeyVOLPZMGMPABFJB-SVGQVSJJSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds1

About [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate

[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate (PubChem CID 122215313) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate
PubChem CID122215313
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=CC(=O)[C@H]1C
InChIInChI=1S/C8H10O3/c1-5-7(10)3-4-8(5)11-6(2)9/h3-5,8H,1-2H3/t5-,8-/m1/s1
InChIKeyVOLPZMGMPABFJB-SVGQVSJJSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate (CID 122215313) is [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1C=CC(=O)[C@H]1C.
What is the InChIKey of [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate?
The InChIKey is VOLPZMGMPABFJB-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-7(10)3-4-8(5)11-6(2)9/h3-5,8H,1-2H3/t5-,8-/m1/s1.
What are the key properties of [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate?
[(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate has a molecular weight of 154.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-methyl-4-oxocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 122215313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).