methyl 5-methyl-1H-indole-2-carboxylate

C11H11NO2 — CID 4777680

IUPACmethyl 5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C11H11NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3
InChIKeyWMYBSXNKEVGXGX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.26
Rot. Bonds1

About methyl 5-methyl-1H-indole-2-carboxylate

methyl 5-methyl-1H-indole-2-carboxylate (PubChem CID 4777680) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1H-indole-2-carboxylate
PubChem CID4777680
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C11H11NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3
InChIKeyWMYBSXNKEVGXGX-UHFFFAOYSA-N
XLogP2.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 5-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-methyl-1H-indole-2-carboxylate (CID 4777680) is methyl 5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-1H-indole-2-carboxylate is COC(=O)c1cc2cc(C)ccc2[nH]1.
What is the InChIKey of methyl 5-methyl-1H-indole-2-carboxylate?
The InChIKey is WMYBSXNKEVGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-3-4-9-8(5-7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3.
What are the key properties of methyl 5-methyl-1H-indole-2-carboxylate?
methyl 5-methyl-1H-indole-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 4777680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).