methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate

C15H13NO2S — CID 164627488

IUPACmethyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(-c3cccs3)cc12
InChIInChI=1S/C15H13NO2S/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyCJLNVMKPTQPICJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.69
Rot. Bonds2

About methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate

methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate (PubChem CID 164627488) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate
PubChem CID164627488
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Namemethyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(-c3cccs3)cc12
InChIInChI=1S/C15H13NO2S/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyCJLNVMKPTQPICJ-UHFFFAOYSA-N
XLogP3.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate (CID 164627488) is methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate is COC(=O)c1cn(C)c2ccc(-c3cccs3)cc12.
What is the InChIKey of methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate?
The InChIKey is CJLNVMKPTQPICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3.
What are the key properties of methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate?
methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-thiophen-2-ylindole-3-carboxylate is sourced from PubChem (CID 164627488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).