methyl 3-ethyl-1H-indole-6-carboxylate

C12H13NO2 — CID 22627226

IUPACmethyl 3-ethyl-1H-indole-6-carboxylate
SMILESCCc1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C12H13NO2/c1-3-8-7-13-11-6-9(12(14)15-2)4-5-10(8)11/h4-7,13H,3H2,1-2H3
InChIKeyVYEXLWIXNARQNX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.52
Rot. Bonds2

About methyl 3-ethyl-1H-indole-6-carboxylate

methyl 3-ethyl-1H-indole-6-carboxylate (PubChem CID 22627226) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 3-ethyl-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1H-indole-6-carboxylate
PubChem CID22627226
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 3-ethyl-1H-indole-6-carboxylate
SMILESCCc1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C12H13NO2/c1-3-8-7-13-11-6-9(12(14)15-2)4-5-10(8)11/h4-7,13H,3H2,1-2H3
InChIKeyVYEXLWIXNARQNX-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
CID 91491470
methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
CID 70303122
methyl 3-[(6-hydroxy-1H-indol-3-yl)methyl]benzoate
CID 58138575
methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
CID 67187780
methyl 3-undecanoyl-1H-indole-6-carboxylate
CID 12799952
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
methyl 3-(1H-indol-3-ylmethyl)-2-methyl-1H-indole-6-carboxylate
CID 163421235
methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
CID 175290315
methyl 3-[(E)-3-oxobut-1-enyl]-1H-indole-6-carboxylate
CID 22627427
methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
CID 15428719

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-ethyl-1H-indole-6-carboxylate (CID 22627226) is methyl 3-ethyl-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-ethyl-1H-indole-6-carboxylate is CCc1c[nH]c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 3-ethyl-1H-indole-6-carboxylate?
The InChIKey is VYEXLWIXNARQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-7-13-11-6-9(12(14)15-2)4-5-10(8)11/h4-7,13H,3H2,1-2H3.
What are the key properties of methyl 3-ethyl-1H-indole-6-carboxylate?
methyl 3-ethyl-1H-indole-6-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1H-indole-6-carboxylate is sourced from PubChem (CID 22627226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).