methyl 1-methylindole-3-carboxylate

C11H11NO2 — CID 842006

IUPACmethyl 1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C11H11NO2/c1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12/h3-7H,1-2H3
InChIKeyRAIZQIUZLCMHAK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.96
Rot. Bonds1

About methyl 1-methylindole-3-carboxylate

methyl 1-methylindole-3-carboxylate (PubChem CID 842006) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 1-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylindole-3-carboxylate
PubChem CID842006
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C11H11NO2/c1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12/h3-7H,1-2H3
InChIKeyRAIZQIUZLCMHAK-UHFFFAOYSA-N
XLogP1.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methylindole-3-carboxylate?
The IUPAC name of methyl 1-methylindole-3-carboxylate (CID 842006) is methyl 1-methylindole-3-carboxylate.
What is the SMILES notation for methyl 1-methylindole-3-carboxylate?
The canonical SMILES for methyl 1-methylindole-3-carboxylate is COC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of methyl 1-methylindole-3-carboxylate?
The InChIKey is RAIZQIUZLCMHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12/h3-7H,1-2H3.
What are the key properties of methyl 1-methylindole-3-carboxylate?
methyl 1-methylindole-3-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylindole-3-carboxylate is sourced from PubChem (CID 842006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).