(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate

C12H15NO3S — CID 5068797

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCC2)s1
InChIInChI=1S/C12H15NO3S/c1-9-4-5-10(17-9)12(15)16-8-11(14)13-6-2-3-7-13/h4-5H,2-3,6-8H2,1H3
InChIKeyYHRXAASARSNTEZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.84
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate (PubChem CID 5068797) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate
PubChem CID5068797
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCC2)s1
InChIInChI=1S/C12H15NO3S/c1-9-4-5-10(17-9)12(15)16-8-11(14)13-6-2-3-7-13/h4-5H,2-3,6-8H2,1H3
InChIKeyYHRXAASARSNTEZ-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate (CID 5068797) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N2CCCC2)s1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate?
The InChIKey is YHRXAASARSNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-9-4-5-10(17-9)12(15)16-8-11(14)13-6-2-3-7-13/h4-5H,2-3,6-8H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 5068797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).