3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C14H14N2O2S — CID 42928723

IUPAC3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1c1cccs1
InChIInChI=1S/C14H14N2O2S/c17-13-10(4-1-7-15-13)14(18)16-8-2-5-11(16)12-6-3-9-19-12/h1,3-4,6-7,9,11H,2,5,8H2,(H,15,17)
InChIKeyXAZRTOJWIVFKIP-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.41
Rot. Bonds2

About 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 42928723) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID42928723
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1c1cccs1
InChIInChI=1S/C14H14N2O2S/c17-13-10(4-1-7-15-13)14(18)16-8-2-5-11(16)12-6-3-9-19-12/h1,3-4,6-7,9,11H,2,5,8H2,(H,15,17)
InChIKeyXAZRTOJWIVFKIP-UHFFFAOYSA-N
XLogP2.41
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 42928723) is 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCC1c1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is XAZRTOJWIVFKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13-10(4-1-7-15-13)14(18)16-8-2-5-11(16)12-6-3-9-19-12/h1,3-4,6-7,9,11H,2,5,8H2,(H,15,17).
What are the key properties of 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 274.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 42928723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).