5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid

C9H9NO3S — CID 59291943

IUPAC5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2=O)s1
InChIInChI=1S/C9H9NO3S/c11-7-2-1-5-10(7)8-4-3-6(14-8)9(12)13/h3-4H,1-2,5H2,(H,12,13)
InChIKeyPDHSGHBISAYFOO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.57
Rot. Bonds2

About 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid

5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid (PubChem CID 59291943) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
PubChem CID59291943
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2=O)s1
InChIInChI=1S/C9H9NO3S/c11-7-2-1-5-10(7)8-4-3-6(14-8)9(12)13/h3-4H,1-2,5H2,(H,12,13)
InChIKeyPDHSGHBISAYFOO-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid (CID 59291943) is 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(N2CCCC2=O)s1.
What is the InChIKey of 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is PDHSGHBISAYFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-7-2-1-5-10(7)8-4-3-6(14-8)9(12)13/h3-4H,1-2,5H2,(H,12,13).
What are the key properties of 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid?
5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 211.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 59291943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).