2-(5-benzoylthiophen-2-yl)propanenitrile

C14H11NOS — CID 67369420

IUPAC2-(5-benzoylthiophen-2-yl)propanenitrile
SMILESCC(C#N)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H11NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,1H3
InChIKeyRIANURQTQVMMSK-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.61
Rot. Bonds3

About 2-(5-benzoylthiophen-2-yl)propanenitrile

2-(5-benzoylthiophen-2-yl)propanenitrile (PubChem CID 67369420) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(5-benzoylthiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-benzoylthiophen-2-yl)propanenitrile
PubChem CID67369420
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name2-(5-benzoylthiophen-2-yl)propanenitrile
SMILESCC(C#N)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H11NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,1H3
InChIKeyRIANURQTQVMMSK-UHFFFAOYSA-N
XLogP3.61
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
(2S)-2-[(2R)-2-(5-benzoylthiophen-2-yl)propanoyl]oxypropanethioic S-acid
CID 125121137
2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid
CID 124835675
diphenylmethanone;isocyanic acid
CID 87839825
ethane;2-methyl-3-oxo-3-phenylpropanenitrile
CID 90994188
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
butane-2,3-diol;diphenylmethanone
CID 175235923
2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 52916404
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
acetic acid;diphenylmethanone;hydrate
CID 161284686

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoylthiophen-2-yl)propanenitrile?
The IUPAC name of 2-(5-benzoylthiophen-2-yl)propanenitrile (CID 67369420) is 2-(5-benzoylthiophen-2-yl)propanenitrile.
What is the SMILES notation for 2-(5-benzoylthiophen-2-yl)propanenitrile?
The canonical SMILES for 2-(5-benzoylthiophen-2-yl)propanenitrile is CC(C#N)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(5-benzoylthiophen-2-yl)propanenitrile?
The InChIKey is RIANURQTQVMMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,1H3.
What are the key properties of 2-(5-benzoylthiophen-2-yl)propanenitrile?
2-(5-benzoylthiophen-2-yl)propanenitrile has a molecular weight of 241.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoylthiophen-2-yl)propanenitrile is sourced from PubChem (CID 67369420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).