methyl 2-methyl-1H-indole-3-carboxylate

C11H11NO2 — CID 594174

IUPACmethyl 2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-7-10(11(13)14-2)8-5-3-4-6-9(8)12-7/h3-6,12H,1-2H3
InChIKeyWQBPRTUBQKFRKZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.26
Rot. Bonds1

About methyl 2-methyl-1H-indole-3-carboxylate

methyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 594174) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1H-indole-3-carboxylate
PubChem CID594174
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-7-10(11(13)14-2)8-5-3-4-6-9(8)12-7/h3-6,12H,1-2H3
InChIKeyWQBPRTUBQKFRKZ-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

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Related Compounds

methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
CID 170645728
CID 170645728
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate
CID 57412548

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-methyl-1H-indole-3-carboxylate (CID 594174) is methyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of methyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is WQBPRTUBQKFRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-10(11(13)14-2)8-5-3-4-6-9(8)12-7/h3-6,12H,1-2H3.
What are the key properties of methyl 2-methyl-1H-indole-3-carboxylate?
methyl 2-methyl-1H-indole-3-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 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).