2-(5-acetylthiophen-2-yl)acetonitrile

C8H7NOS — CID 2764041

IUPAC2-(5-acetylthiophen-2-yl)acetonitrile
SMILESCC(=O)c1ccc(CC#N)s1
InChIInChI=1S/C8H7NOS/c1-6(10)8-3-2-7(11-8)4-5-9/h2-3H,4H2,1H3
InChIKeyRTCOCAXVCVPSRL-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.02
Rot. Bonds2

About 2-(5-acetylthiophen-2-yl)acetonitrile

2-(5-acetylthiophen-2-yl)acetonitrile (PubChem CID 2764041) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(5-acetylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-acetylthiophen-2-yl)acetonitrile
PubChem CID2764041
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2-(5-acetylthiophen-2-yl)acetonitrile
SMILESCC(=O)c1ccc(CC#N)s1
InChIInChI=1S/C8H7NOS/c1-6(10)8-3-2-7(11-8)4-5-9/h2-3H,4H2,1H3
InChIKeyRTCOCAXVCVPSRL-UHFFFAOYSA-N
XLogP2.02
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-(5-acetylthiophen-2-yl)acetonitrile (CID 2764041) is 2-(5-acetylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-acetylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-(5-acetylthiophen-2-yl)acetonitrile is CC(=O)c1ccc(CC#N)s1.
What is the InChIKey of 2-(5-acetylthiophen-2-yl)acetonitrile?
The InChIKey is RTCOCAXVCVPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-6(10)8-3-2-7(11-8)4-5-9/h2-3H,4H2,1H3.
What are the key properties of 2-(5-acetylthiophen-2-yl)acetonitrile?
2-(5-acetylthiophen-2-yl)acetonitrile has a molecular weight of 165.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 2764041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).