methyl 5-ethoxy-1-methylindole-2-carboxylate

C13H15NO3 — CID 4777688

IUPACmethyl 5-ethoxy-1-methylindole-2-carboxylate
SMILESCCOc1ccc2c(c1)cc(C(=O)OC)n2C
InChIInChI=1S/C13H15NO3/c1-4-17-10-5-6-11-9(7-10)8-12(14(11)2)13(15)16-3/h5-8H,4H2,1-3H3
InChIKeyWITMPGOYPYOERA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.36
Rot. Bonds3

About methyl 5-ethoxy-1-methylindole-2-carboxylate

methyl 5-ethoxy-1-methylindole-2-carboxylate (PubChem CID 4777688) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 5-ethoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethoxy-1-methylindole-2-carboxylate
PubChem CID4777688
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 5-ethoxy-1-methylindole-2-carboxylate
SMILESCCOc1ccc2c(c1)cc(C(=O)OC)n2C
InChIInChI=1S/C13H15NO3/c1-4-17-10-5-6-11-9(7-10)8-12(14(11)2)13(15)16-3/h5-8H,4H2,1-3H3
InChIKeyWITMPGOYPYOERA-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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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 5-ethoxy-1-methylindole-2-carboxylate (CID 4777688) is methyl 5-ethoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 5-ethoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 5-ethoxy-1-methylindole-2-carboxylate is CCOc1ccc2c(c1)cc(C(=O)OC)n2C.
What is the InChIKey of methyl 5-ethoxy-1-methylindole-2-carboxylate?
The InChIKey is WITMPGOYPYOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-17-10-5-6-11-9(7-10)8-12(14(11)2)13(15)16-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 5-ethoxy-1-methylindole-2-carboxylate?
methyl 5-ethoxy-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 methyl 5-ethoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 4777688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).