methyl 2-ethyl-3-methylindole-3-carboxylate

C13H15NO2 — CID 2752617

IUPACmethyl 2-ethyl-3-methylindole-3-carboxylate
SMILESCCC1=Nc2ccccc2C1(C)C(=O)OC
InChIInChI=1S/C13H15NO2/c1-4-11-13(2,12(15)16-3)9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3
InChIKeyKDTDHNYUGROEJL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.61
Rot. Bonds2

About methyl 2-ethyl-3-methylindole-3-carboxylate

methyl 2-ethyl-3-methylindole-3-carboxylate (PubChem CID 2752617) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 2-ethyl-3-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-methylindole-3-carboxylate
PubChem CID2752617
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-ethyl-3-methylindole-3-carboxylate
SMILESCCC1=Nc2ccccc2C1(C)C(=O)OC
InChIInChI=1S/C13H15NO2/c1-4-11-13(2,12(15)16-3)9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3
InChIKeyKDTDHNYUGROEJL-UHFFFAOYSA-N
XLogP2.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-methylindole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-3-methylindole-3-carboxylate (CID 2752617) is methyl 2-ethyl-3-methylindole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-methylindole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-methylindole-3-carboxylate is CCC1=Nc2ccccc2C1(C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3-methylindole-3-carboxylate?
The InChIKey is KDTDHNYUGROEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-11-13(2,12(15)16-3)9-7-5-6-8-10(9)14-11/h5-8H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-3-methylindole-3-carboxylate?
methyl 2-ethyl-3-methylindole-3-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-methylindole-3-carboxylate is sourced from PubChem (CID 2752617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).