2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid

C11H10O3S — CID 686855

IUPAC2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid
SMILESO=C(O)CC1=C(c2cccs2)CCC1=O
InChIInChI=1S/C11H10O3S/c12-9-4-3-7(8(9)6-11(13)14)10-2-1-5-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyMOYBSXOOZVYRTN-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid

2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid (PubChem CID 686855) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid
PubChem CID686855
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid
SMILESO=C(O)CC1=C(c2cccs2)CCC1=O
InChIInChI=1S/C11H10O3S/c12-9-4-3-7(8(9)6-11(13)14)10-2-1-5-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyMOYBSXOOZVYRTN-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid (CID 686855) is 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid is O=C(O)CC1=C(c2cccs2)CCC1=O.
What is the InChIKey of 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid?
The InChIKey is MOYBSXOOZVYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-9-4-3-7(8(9)6-11(13)14)10-2-1-5-15-10/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid?
2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid has a molecular weight of 222.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid is sourced from PubChem (CID 686855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).