methyl 5-methoxy-1H-indole-3-carboxylate

C11H11NO3 — CID 23091969

IUPACmethyl 5-methoxy-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3
InChIKeyODBFYEWPUQVAKY-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.96
Rot. Bonds2

About methyl 5-methoxy-1H-indole-3-carboxylate

methyl 5-methoxy-1H-indole-3-carboxylate (PubChem CID 23091969) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 5-methoxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1H-indole-3-carboxylate
PubChem CID23091969
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 5-methoxy-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3
InChIKeyODBFYEWPUQVAKY-UHFFFAOYSA-N
XLogP1.96
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-methoxy-1H-indole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-methoxy-1H-indole-3-carboxylate (CID 23091969) is methyl 5-methoxy-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of methyl 5-methoxy-1H-indole-3-carboxylate?
The InChIKey is ODBFYEWPUQVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3.
What are the key properties of methyl 5-methoxy-1H-indole-3-carboxylate?
methyl 5-methoxy-1H-indole-3-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1H-indole-3-carboxylate is sourced from PubChem (CID 23091969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).