3-(4-oxocyclopent-2-en-1-yl)propanoic acid

C8H10O3 — CID 58869821

IUPAC3-(4-oxocyclopent-2-en-1-yl)propanoic acid
SMILESO=C(O)CCC1C=CC(=O)C1
InChIInChI=1S/C8H10O3/c9-7-3-1-6(5-7)2-4-8(10)11/h1,3,6H,2,4-5H2,(H,10,11)
InChIKeyBXUBNQVGUUORTD-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.00
Rot. Bonds3

About 3-(4-oxocyclopent-2-en-1-yl)propanoic acid

3-(4-oxocyclopent-2-en-1-yl)propanoic acid (PubChem CID 58869821) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(4-oxocyclopent-2-en-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxocyclopent-2-en-1-yl)propanoic acid
PubChem CID58869821
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name3-(4-oxocyclopent-2-en-1-yl)propanoic acid
SMILESO=C(O)CCC1C=CC(=O)C1
InChIInChI=1S/C8H10O3/c9-7-3-1-6(5-7)2-4-8(10)11/h1,3,6H,2,4-5H2,(H,10,11)
InChIKeyBXUBNQVGUUORTD-UHFFFAOYSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocyclopent-2-en-1-yl)propanoic acid?
The IUPAC name of 3-(4-oxocyclopent-2-en-1-yl)propanoic acid (CID 58869821) is 3-(4-oxocyclopent-2-en-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxocyclopent-2-en-1-yl)propanoic acid?
The canonical SMILES for 3-(4-oxocyclopent-2-en-1-yl)propanoic acid is O=C(O)CCC1C=CC(=O)C1.
What is the InChIKey of 3-(4-oxocyclopent-2-en-1-yl)propanoic acid?
The InChIKey is BXUBNQVGUUORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-3-1-6(5-7)2-4-8(10)11/h1,3,6H,2,4-5H2,(H,10,11).
What are the key properties of 3-(4-oxocyclopent-2-en-1-yl)propanoic acid?
3-(4-oxocyclopent-2-en-1-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocyclopent-2-en-1-yl)propanoic acid is sourced from PubChem (CID 58869821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).