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

C8H10O3 — CID 118457815

IUPAC[(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C=CC(=O)C1
InChIInChI=1S/C8H10O3/c1-6(9)11-5-7-2-3-8(10)4-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyZSMPCSBFSUQFEF-ZETCQYMHSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

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

[(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate (PubChem CID 118457815) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate
PubChem CID118457815
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name[(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C=CC(=O)C1
InChIInChI=1S/C8H10O3/c1-6(9)11-5-7-2-3-8(10)4-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1
InChIKeyZSMPCSBFSUQFEF-ZETCQYMHSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate?
The IUPAC name of [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate (CID 118457815) is [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate.
What is the SMILES notation for [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate?
The canonical SMILES for [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate is CC(=O)OC[C@H]1C=CC(=O)C1.
What is the InChIKey of [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate?
The InChIKey is ZSMPCSBFSUQFEF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O3/c1-6(9)11-5-7-2-3-8(10)4-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate?
[(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate has a molecular weight of 154.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-oxocyclopent-2-en-1-yl]methyl acetate is sourced from PubChem (CID 118457815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).