5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid

C15H14N2O3 — CID 115110214

IUPAC5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccc(C(=O)O)[nH]1)n2C
InChIInChI=1S/C15H14N2O3/c1-17-13-6-3-10(20-2)7-9(13)8-14(17)11-4-5-12(16-11)15(18)19/h3-8,16H,1-2H3,(H,18,19)
InChIKeyPWMUJUQYPYYHKZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.88
Rot. Bonds3

About 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid

5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110214) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110214
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccc(C(=O)O)[nH]1)n2C
InChIInChI=1S/C15H14N2O3/c1-17-13-6-3-10(20-2)7-9(13)8-14(17)11-4-5-12(16-11)15(18)19/h3-8,16H,1-2H3,(H,18,19)
InChIKeyPWMUJUQYPYYHKZ-UHFFFAOYSA-N
XLogP2.88
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
5-methoxyindole-1-carboxylic acid
CID 68566461
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
2-methoxy-5-(5-methoxy-1-methylindol-2-yl)penta-2,4-dienoic acid
CID 173299355
3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107817
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid (CID 115110214) is 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid is COc1ccc2c(c1)cc(-c1ccc(C(=O)O)[nH]1)n2C.
What is the InChIKey of 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is PWMUJUQYPYYHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-13-6-3-10(20-2)7-9(13)8-14(17)11-4-5-12(16-11)15(18)19/h3-8,16H,1-2H3,(H,18,19).
What are the key properties of 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).