2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid

C15H15NO2S — CID 68623791

IUPAC2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccccc2N1Cc1cccs1
InChIInChI=1S/C15H15NO2S/c1-10-14(15(17)18)12-6-2-3-7-13(12)16(10)9-11-5-4-8-19-11/h2-8,10,14H,9H2,1H3,(H,17,18)
InChIKeyBDUPBRXFUGMGCI-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.33
Rot. Bonds3

About 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid

2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 68623791) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID68623791
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccccc2N1Cc1cccs1
InChIInChI=1S/C15H15NO2S/c1-10-14(15(17)18)12-6-2-3-7-13(12)16(10)9-11-5-4-8-19-11/h2-8,10,14H,9H2,1H3,(H,17,18)
InChIKeyBDUPBRXFUGMGCI-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid (CID 68623791) is 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid is CC1C(C(=O)O)c2ccccc2N1Cc1cccs1.
What is the InChIKey of 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is BDUPBRXFUGMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-14(15(17)18)12-6-2-3-7-13(12)16(10)9-11-5-4-8-19-11/h2-8,10,14H,9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid?
2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiophen-2-ylmethyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 68623791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).