1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone

C14H11NOS2 — CID 19940135

IUPAC1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C14H11NOS2/c1-9(16)10-8-11(12-4-2-6-17-12)15-14(10)13-5-3-7-18-13/h2-8,15H,1H3
InChIKeyYNYOUMFFOLPJLJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.67
Rot. Bonds3

About 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone

1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone (PubChem CID 19940135) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone
PubChem CID19940135
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC Name1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C14H11NOS2/c1-9(16)10-8-11(12-4-2-6-17-12)15-14(10)13-5-3-7-18-13/h2-8,15H,1H3
InChIKeyYNYOUMFFOLPJLJ-UHFFFAOYSA-N
XLogP4.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone (CID 19940135) is 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone is CC(=O)c1cc(-c2cccs2)[nH]c1-c1cccs1.
What is the InChIKey of 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone?
The InChIKey is YNYOUMFFOLPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c1-9(16)10-8-11(12-4-2-6-17-12)15-14(10)13-5-3-7-18-13/h2-8,15H,1H3.
What are the key properties of 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone?
1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 19940135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).