5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid

C14H15NO2 — CID 43671773

IUPAC5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1
InChIInChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17)
InChIKeyKDUMYGZIFBSWMG-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid

5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 43671773) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID43671773
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1
InChIInChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17)
InChIKeyKDUMYGZIFBSWMG-UHFFFAOYSA-N
XLogP3.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid
CID 43671774
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
5-(2,5-dimethyl-4-nitrophenyl)-1-methylpyrrole-2-carboxylic acid
CID 103145659
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
6-(2,4-dimethylphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15326624
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
5-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 55131093
6-(4-hydroxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 148609318
1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
CID 43671705

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid (CID 43671773) is 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is KDUMYGZIFBSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).