2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid

C15H14N2O2 — CID 82381368

IUPAC2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c2cccc(C)c2c1-c1[nH]ccc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-8-4-3-5-11-12(8)13(9(2)17-11)14-10(15(18)19)6-7-16-14/h3-7,16-17H,1-2H3,(H,18,19)
InChIKeyNNJJSXIJVGLABL-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.48
Rot. Bonds2

About 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid

2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82381368) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID82381368
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c2cccc(C)c2c1-c1[nH]ccc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-8-4-3-5-11-12(8)13(9(2)17-11)14-10(15(18)19)6-7-16-14/h3-7,16-17H,1-2H3,(H,18,19)
InChIKeyNNJJSXIJVGLABL-UHFFFAOYSA-N
XLogP3.48
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986099
5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
2-methyl-3-propyl-1H-indole-4-carboxylic acid
CID 83964335
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide
CID 87577227
2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96624791
8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 82393897
2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 82388017
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
N-(4-acetamidophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110861432
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid (CID 82381368) is 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid is Cc1[nH]c2cccc(C)c2c1-c1[nH]ccc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is NNJJSXIJVGLABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-8-4-3-5-11-12(8)13(9(2)17-11)14-10(15(18)19)6-7-16-14/h3-7,16-17H,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82381368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).