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

C15H16N2 — CID 116828196

IUPAC2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(C)[nH]2)c(C)c1C
InChIInChI=1S/C15H16N2/c1-9-5-6-14(11(3)10(9)2)15-7-13(8-16)12(4)17-15/h5-7,17H,1-4H3
InChIKeyDXTZFOZGQDHJPA-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.79
Rot. Bonds1

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

2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 116828196) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
PubChem CID116828196
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(C)[nH]2)c(C)c1C
InChIInChI=1S/C15H16N2/c1-9-5-6-14(11(3)10(9)2)15-7-13(8-16)12(4)17-15/h5-7,17H,1-4H3
InChIKeyDXTZFOZGQDHJPA-UHFFFAOYSA-N
XLogP3.79
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile (CID 116828196) is 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile is Cc1ccc(-c2cc(C#N)c(C)[nH]2)c(C)c1C.
What is the InChIKey of 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is DXTZFOZGQDHJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-9-5-6-14(11(3)10(9)2)15-7-13(8-16)12(4)17-15/h5-7,17H,1-4H3.
What are the key properties of 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile?
2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 224.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 116828196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).