5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile

C19H14N2O — CID 24987376

IUPAC5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14N2O/c1-21-17(13-20)11-12-18(21)14-7-9-16(10-8-14)19(22)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyIMDGGNKSMNNQMZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.79
Rot. Bonds3

About 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile

5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile (PubChem CID 24987376) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile
PubChem CID24987376
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14N2O/c1-21-17(13-20)11-12-18(21)14-7-9-16(10-8-14)19(22)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyIMDGGNKSMNNQMZ-UHFFFAOYSA-N
XLogP3.79
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 11128828
N-(4-Acetylphenyl)-2,5-dimethylpyrrole
CID 522805
3-[4-(1-benzoyl-1H-indol-2-yl)phenyl]propanenitrile
CID 16725052
1,5-dimethyl-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]pyrrole-2-carbonitrile
CID 5975065
(2E)-2-[(1-methylpyrrol-2-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5799835
(2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]indan-1-one
CID 12005106
5-(3,3-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 16004661
1-Methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile
CID 16225747
1-methyl-5-(1-oxo-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole-2-carbonitrile
CID 24987018
5-(4-acetylphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 24987026
1-Methyl-5-(4-propionylphenyl)-1H-pyrrole-2-carbonitrile
CID 24987374
1-Methyl-5-[4-(thien-2-ylcarbonyl)phenyl]-1H-pyrrole-2-carbonitrile
CID 24987375

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile (CID 24987376) is 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile is Cn1c(C#N)ccc1-c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile?
The InChIKey is IMDGGNKSMNNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-21-17(13-20)11-12-18(21)14-7-9-16(10-8-14)19(22)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile?
5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylphenyl)-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 24987376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).