5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid

C14H12N2O2 — CID 82388064

IUPAC5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccc3[nH]ccc3c2)cc1C(=O)O
InChIInChI=1S/C14H12N2O2/c1-8-11(14(17)18)7-13(16-8)9-2-3-12-10(6-9)4-5-15-12/h2-7,15-16H,1H3,(H,17,18)
InChIKeyNOMCSLKGFCEFFB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.17
Rot. Bonds2

About 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid

5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82388064) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82388064
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccc3[nH]ccc3c2)cc1C(=O)O
InChIInChI=1S/C14H12N2O2/c1-8-11(14(17)18)7-13(16-8)9-2-3-12-10(6-9)4-5-15-12/h2-7,15-16H,1H3,(H,17,18)
InChIKeyNOMCSLKGFCEFFB-UHFFFAOYSA-N
XLogP3.17
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 4715364
5-(1-benzofuran-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82387639
5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82082007
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
5-(1H-indol-5-yl)-2,3,4-trimethoxybenzoic acid
CID 155912985
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284807
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
2-hydroxy-6-(1H-indol-5-yl)benzoic acid
CID 174341729
5-amino-1H-indole-6-carboxylic acid
CID 117273186
3-(carboxymethoxy)-5-(1H-indol-5-yl)-4-methylthiophene-2-carboxylic acid
CID 68838365

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82388064) is 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(-c2ccc3[nH]ccc3c2)cc1C(=O)O.
What is the InChIKey of 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is NOMCSLKGFCEFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-11(14(17)18)7-13(16-8)9-2-3-12-10(6-9)4-5-15-12/h2-7,15-16H,1H3,(H,17,18).
What are the key properties of 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82388064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).