1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

C9H9NOS — CID 91472387

IUPAC1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C9H9NOS/c1-5-3-8-9(12-5)4-7(10-8)6(2)11/h3-4,10H,1-2H3
InChIKeyXXGJECJDBAYFIZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.74
Rot. Bonds1

About 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (PubChem CID 91472387) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
PubChem CID91472387
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C9H9NOS/c1-5-3-8-9(12-5)4-7(10-8)6(2)11/h3-4,10H,1-2H3
InChIKeyXXGJECJDBAYFIZ-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (CID 91472387) is 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is CC(=O)c1cc2sc(C)cc2[nH]1.
What is the InChIKey of 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The InChIKey is XXGJECJDBAYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-3-8-9(12-5)4-7(10-8)6(2)11/h3-4,10H,1-2H3.
What are the key properties of 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone has a molecular weight of 179.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is sourced from PubChem (CID 91472387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).