5-acetylthiophene-2-carbonitrile

C7H5NOS — CID 2747565

IUPAC5-acetylthiophene-2-carbonitrile
SMILESCC(=O)c1ccc(C#N)s1
InChIInChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKeyVSHPLUBHIUFLES-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.82
Rot. Bonds1

About 5-acetylthiophene-2-carbonitrile

5-acetylthiophene-2-carbonitrile (PubChem CID 2747565) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 5-acetylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-acetylthiophene-2-carbonitrile
PubChem CID2747565
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name5-acetylthiophene-2-carbonitrile
SMILESCC(=O)c1ccc(C#N)s1
InChIInChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKeyVSHPLUBHIUFLES-UHFFFAOYSA-N
XLogP1.82
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetylthiophene-2-carbonitrile?
The IUPAC name of 5-acetylthiophene-2-carbonitrile (CID 2747565) is 5-acetylthiophene-2-carbonitrile.
What is the SMILES notation for 5-acetylthiophene-2-carbonitrile?
The canonical SMILES for 5-acetylthiophene-2-carbonitrile is CC(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-acetylthiophene-2-carbonitrile?
The InChIKey is VSHPLUBHIUFLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3.
What are the key properties of 5-acetylthiophene-2-carbonitrile?
5-acetylthiophene-2-carbonitrile has a molecular weight of 151.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylthiophene-2-carbonitrile is sourced from PubChem (CID 2747565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).