1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C16H15NO3S — CID 80564421

IUPAC1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)sc1C
InChIInChI=1S/C16H15NO3S/c1-9-7-14(21-10(9)2)15(18)17-8-12(16(19)20)11-5-3-4-6-13(11)17/h3-7,12H,8H2,1-2H3,(H,19,20)
InChIKeyOIMWQBVWBZMKRO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.19
Rot. Bonds2

About 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564421) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564421
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)sc1C
InChIInChI=1S/C16H15NO3S/c1-9-7-14(21-10(9)2)15(18)17-8-12(16(19)20)11-5-3-4-6-13(11)17/h3-7,12H,8H2,1-2H3,(H,19,20)
InChIKeyOIMWQBVWBZMKRO-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564421) is 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is OIMWQBVWBZMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-9-7-14(21-10(9)2)15(18)17-8-12(16(19)20)11-5-3-4-6-13(11)17/h3-7,12H,8H2,1-2H3,(H,19,20).
What are the key properties of 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).