5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile

C14H14N2 — CID 59930384

IUPAC5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)c(C)[nH]2)cc1
InChIInChI=1S/C14H14N2/c1-3-11-4-6-12(7-5-11)14-8-13(9-15)10(2)16-14/h4-8,16H,3H2,1-2H3
InChIKeyJTMWRKOMNKDCPA-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile

5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile (PubChem CID 59930384) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
PubChem CID59930384
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)c(C)[nH]2)cc1
InChIInChI=1S/C14H14N2/c1-3-11-4-6-12(7-5-11)14-8-13(9-15)10(2)16-14/h4-8,16H,3H2,1-2H3
InChIKeyJTMWRKOMNKDCPA-UHFFFAOYSA-N
XLogP3.42
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chloro-4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828156
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
CID 116828196
6-(4-propylphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63897912
5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096341
2-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 154709543
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
5-(4-chlorophenyl)-2-(4-methylphenyl)-1H-pyrrole-3-carbonitrile
CID 154709544
2-(4-ethylphenyl)-5,7-dimethyl-1H-indole
CID 131886815
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 3629581

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile (CID 59930384) is 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile is CCc1ccc(-c2cc(C#N)c(C)[nH]2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The InChIKey is JTMWRKOMNKDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-11-4-6-12(7-5-11)14-8-13(9-15)10(2)16-14/h4-8,16H,3H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).