1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone

C10H11NOS — CID 89398312

IUPAC1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)n(C)c2s1
InChIInChI=1S/C10H11NOS/c1-6-4-8-5-9(7(2)12)13-10(8)11(6)3/h4-5H,1-3H3
InChIKeyXAXJHLCYYMLREE-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.75
Rot. Bonds1

About 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone

1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone (PubChem CID 89398312) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone
PubChem CID89398312
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)n(C)c2s1
InChIInChI=1S/C10H11NOS/c1-6-4-8-5-9(7(2)12)13-10(8)11(6)3/h4-5H,1-3H3
InChIKeyXAXJHLCYYMLREE-UHFFFAOYSA-N
XLogP2.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone (CID 89398312) is 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone is CC(=O)c1cc2cc(C)n(C)c2s1.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone?
The InChIKey is XAXJHLCYYMLREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-4-8-5-9(7(2)12)13-10(8)11(6)3/h4-5H,1-3H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone?
1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone has a molecular weight of 193.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone is sourced from PubChem (CID 89398312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).