ethyl 3-methoxy-1-methylindole-2-carboxylate

C13H15NO3 — CID 12619890

IUPACethyl 3-methoxy-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1c(OC)c2ccccc2n1C
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)11-12(16-3)9-7-5-6-8-10(9)14(11)2/h5-8H,4H2,1-3H3
InChIKeyNRGBXEKMXNWTKW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.36
Rot. Bonds3

About ethyl 3-methoxy-1-methylindole-2-carboxylate

ethyl 3-methoxy-1-methylindole-2-carboxylate (PubChem CID 12619890) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 3-methoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-1-methylindole-2-carboxylate
PubChem CID12619890
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 3-methoxy-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1c(OC)c2ccccc2n1C
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)11-12(16-3)9-7-5-6-8-10(9)14(11)2/h5-8H,4H2,1-3H3
InChIKeyNRGBXEKMXNWTKW-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 1-(2-bromoethyl)-3-methoxyindole-2-carboxylate
CID 10806019
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769
ethyl 1-methyl-3-octadecanoylindole-2-carboxylate
CID 15291155
ethyl 1,3-dichloroindole-2-carboxylate
CID 67415286
3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
CID 14210891
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 3-(4-butylsulfanylphenyl)-1-methylindole-2-carboxylate
CID 142136275
ethyl 1-bromo-3-chloroindole-2-carboxylate
CID 90912569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 3-methoxy-1-methylindole-2-carboxylate (CID 12619890) is ethyl 3-methoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 3-methoxy-1-methylindole-2-carboxylate is CCOC(=O)c1c(OC)c2ccccc2n1C.
What is the InChIKey of ethyl 3-methoxy-1-methylindole-2-carboxylate?
The InChIKey is NRGBXEKMXNWTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-17-13(15)11-12(16-3)9-7-5-6-8-10(9)14(11)2/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-methoxy-1-methylindole-2-carboxylate?
ethyl 3-methoxy-1-methylindole-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 12619890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).