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

C8H7NOS — CID 713791

IUPAC1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C8H7NOS/c1-5(10)7-4-8-6(9-7)2-3-11-8/h2-4,9H,1H3
InChIKeyWLDJWDMZKFKABJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.43
Rot. Bonds1

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

1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone (PubChem CID 713791) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
PubChem CID713791
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C8H7NOS/c1-5(10)7-4-8-6(9-7)2-3-11-8/h2-4,9H,1H3
InChIKeyWLDJWDMZKFKABJ-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The IUPAC name of 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone (CID 713791) is 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone is CC(=O)c1cc2sccc2[nH]1.
What is the InChIKey of 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The InChIKey is WLDJWDMZKFKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5(10)7-4-8-6(9-7)2-3-11-8/h2-4,9H,1H3.
What are the key properties of 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone has a molecular weight of 165.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone is sourced from PubChem (CID 713791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).