benzyl 2-methyl-1H-indole-3-carboxylate

C17H15NO2 — CID 51559584

IUPACbenzyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-16(14-9-5-6-10-15(14)18-12)17(19)20-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyWYSXXNYVYVARBJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.83
Rot. Bonds3

About benzyl 2-methyl-1H-indole-3-carboxylate

benzyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 51559584) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-1H-indole-3-carboxylate
PubChem CID51559584
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namebenzyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-16(14-9-5-6-10-15(14)18-12)17(19)20-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyWYSXXNYVYVARBJ-UHFFFAOYSA-N
XLogP3.83
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of benzyl 2-methyl-1H-indole-3-carboxylate (CID 51559584) is benzyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for benzyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for benzyl 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is WYSXXNYVYVARBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-16(14-9-5-6-10-15(14)18-12)17(19)20-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3.
What are the key properties of benzyl 2-methyl-1H-indole-3-carboxylate?
benzyl 2-methyl-1H-indole-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 51559584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).