2-(2,5-dimethylphenyl)-1H-pyrrole

C12H13N — CID 14816142

IUPAC2-(2,5-dimethylphenyl)-1H-pyrrole
SMILESCc1ccc(C)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H13N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h3-8,13H,1-2H3
InChIKeyWWBHXOAXNKDEQZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.30
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1H-pyrrole

2-(2,5-dimethylphenyl)-1H-pyrrole (PubChem CID 14816142) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1H-pyrrole
PubChem CID14816142
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-(2,5-dimethylphenyl)-1H-pyrrole
SMILESCc1ccc(C)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H13N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h3-8,13H,1-2H3
InChIKeyWWBHXOAXNKDEQZ-UHFFFAOYSA-N
XLogP3.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1H-pyrrole?
The IUPAC name of 2-(2,5-dimethylphenyl)-1H-pyrrole (CID 14816142) is 2-(2,5-dimethylphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1H-pyrrole is Cc1ccc(C)c(-c2ccc[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1H-pyrrole?
The InChIKey is WWBHXOAXNKDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h3-8,13H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1H-pyrrole?
2-(2,5-dimethylphenyl)-1H-pyrrole has a molecular weight of 171.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1H-pyrrole is sourced from PubChem (CID 14816142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).