1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone

C11H7NOS2 — CID 80733355

IUPAC1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cc2sccc2s1
InChIInChI=1S/C11H7NOS2/c13-11(7-2-1-4-12-7)10-6-9-8(15-10)3-5-14-9/h1-6,12H
InChIKeyWEBUZDFBTMJYEE-UHFFFAOYSA-N
MW233.32 g/mol
LogP3.52
Rot. Bonds2

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

1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 80733355) has the molecular formula C11H7NOS2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Name1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone
PubChem CID80733355
Molecular FormulaC11H7NOS2
Molecular Weight233.32 g/mol
Exact Mass233.00
IUPAC Name1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cc2sccc2s1
InChIInChI=1S/C11H7NOS2/c13-11(7-2-1-4-12-7)10-6-9-8(15-10)3-5-14-9/h1-6,12H
InChIKeyWEBUZDFBTMJYEE-UHFFFAOYSA-N
XLogP3.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone (CID 80733355) is 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone is O=C(c1ccc[nH]1)c1cc2sccc2s1.
What is the InChIKey of 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is WEBUZDFBTMJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS2/c13-11(7-2-1-4-12-7)10-6-9-8(15-10)3-5-14-9/h1-6,12H.
What are the key properties of 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone?
1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 233.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl(thieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 80733355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).