ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate

C13H15NO3 — CID 616235

IUPACethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)12-8(2)14-11-6-5-9(16-3)7-10(11)12/h5-7,14H,4H2,1-3H3
InChIKeyIRBNTIJXCHIBNA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.66
Rot. Bonds3

About ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate

ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 616235) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
PubChem CID616235
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)12-8(2)14-11-6-5-9(16-3)7-10(11)12/h5-7,14H,4H2,1-3H3
InChIKeyIRBNTIJXCHIBNA-UHFFFAOYSA-N
XLogP2.66
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate (CID 616235) is ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate is CCOC(=O)c1c(C)[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is IRBNTIJXCHIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-17-13(15)12-8(2)14-11-6-5-9(16-3)7-10(11)12/h5-7,14H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 616235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).