4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid

C14H11NO3S — CID 82488719

IUPAC4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3cscc3C(=O)O)ccc21
InChIInChI=1S/C14H11NO3S/c1-15-12-3-2-8(4-9(12)5-13(15)16)10-6-19-7-11(10)14(17)18/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyZTWIIFPGCPIVMN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.63
Rot. Bonds2

About 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid

4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid (PubChem CID 82488719) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
PubChem CID82488719
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3cscc3C(=O)O)ccc21
InChIInChI=1S/C14H11NO3S/c1-15-12-3-2-8(4-9(12)5-13(15)16)10-6-19-7-11(10)14(17)18/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyZTWIIFPGCPIVMN-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
CID 82130354
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209495
4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
CID 82289083
3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82308194
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid (CID 82488719) is 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid is CN1C(=O)Cc2cc(-c3cscc3C(=O)O)ccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid?
The InChIKey is ZTWIIFPGCPIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-15-12-3-2-8(4-9(12)5-13(15)16)10-6-19-7-11(10)14(17)18/h2-4,6-7H,5H2,1H3,(H,17,18).
What are the key properties of 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid?
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82488719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).