ethyl 7-methyl-1H-indole-2-carboxylate

C12H13NO2 — CID 1235155

IUPACethyl 7-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(C)c2[nH]1
InChIInChI=1S/C12H13NO2/c1-3-15-12(14)10-7-9-6-4-5-8(2)11(9)13-10/h4-7,13H,3H2,1-2H3
InChIKeyOQDDMWUDWUIMKB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.65
Rot. Bonds2

About ethyl 7-methyl-1H-indole-2-carboxylate

ethyl 7-methyl-1H-indole-2-carboxylate (PubChem CID 1235155) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 7-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1H-indole-2-carboxylate
PubChem CID1235155
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl 7-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(C)c2[nH]1
InChIInChI=1S/C12H13NO2/c1-3-15-12(14)10-7-9-6-4-5-8(2)11(9)13-10/h4-7,13H,3H2,1-2H3
InChIKeyOQDDMWUDWUIMKB-UHFFFAOYSA-N
XLogP2.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 7-methyl-1H-indole-2-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

acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
diethyl 11-ethyl-4,11,18-triazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-5,17-dicarboxylate
CID 177492288
methyl 7-hydroxy-1H-indole-2-carboxylate
CID 13089718

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-methyl-1H-indole-2-carboxylate (CID 1235155) is ethyl 7-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-methyl-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(C)c2[nH]1.
What is the InChIKey of ethyl 7-methyl-1H-indole-2-carboxylate?
The InChIKey is OQDDMWUDWUIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-15-12(14)10-7-9-6-4-5-8(2)11(9)13-10/h4-7,13H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-1H-indole-2-carboxylate?
ethyl 7-methyl-1H-indole-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 1235155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).