methyl 1-ethylindole-6-carboxylate

C12H13NO2 — CID 22467242

IUPACmethyl 1-ethylindole-6-carboxylate
SMILESCCn1ccc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-6-9-4-5-10(8-11(9)13)12(14)15-2/h4-8H,3H2,1-2H3
InChIKeyLXQWMGQEBLDCJL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.45
Rot. Bonds2

About methyl 1-ethylindole-6-carboxylate

methyl 1-ethylindole-6-carboxylate (PubChem CID 22467242) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 1-ethylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethylindole-6-carboxylate
PubChem CID22467242
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 1-ethylindole-6-carboxylate
SMILESCCn1ccc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-6-9-4-5-10(8-11(9)13)12(14)15-2/h4-8H,3H2,1-2H3
InChIKeyLXQWMGQEBLDCJL-UHFFFAOYSA-N
XLogP2.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-ethylindole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
CID 69453700
methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
CID 4985597
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-6-carboxylate
CID 25206594
methyl 1-[1-(methylamino)pentan-3-yl]indole-6-carboxylate
CID 143326148
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
methyl 4-[[6-(hexanoylamino)indol-1-yl]methyl]-3-methoxybenzoate
CID 14708767
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethylindole-6-carboxylate?
The IUPAC name of methyl 1-ethylindole-6-carboxylate (CID 22467242) is methyl 1-ethylindole-6-carboxylate.
What is the SMILES notation for methyl 1-ethylindole-6-carboxylate?
The canonical SMILES for methyl 1-ethylindole-6-carboxylate is CCn1ccc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 1-ethylindole-6-carboxylate?
The InChIKey is LXQWMGQEBLDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-7-6-9-4-5-10(8-11(9)13)12(14)15-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 1-ethylindole-6-carboxylate?
methyl 1-ethylindole-6-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethylindole-6-carboxylate is sourced from PubChem (CID 22467242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).