methyl 2,6-dimethyl-1H-indole-3-carboxylate

C12H13NO2 — CID 74890490

IUPACmethyl 2,6-dimethyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO2/c1-7-4-5-9-10(6-7)13-8(2)11(9)12(14)15-3/h4-6,13H,1-3H3
InChIKeyBHJAYIUKGMSMHA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.57
Rot. Bonds1

About methyl 2,6-dimethyl-1H-indole-3-carboxylate

methyl 2,6-dimethyl-1H-indole-3-carboxylate (PubChem CID 74890490) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2,6-dimethyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethyl-1H-indole-3-carboxylate
PubChem CID74890490
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2,6-dimethyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO2/c1-7-4-5-9-10(6-7)13-8(2)11(9)12(14)15-3/h4-6,13H,1-3H3
InChIKeyBHJAYIUKGMSMHA-UHFFFAOYSA-N
XLogP2.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
methyl 2-amino-5-methyl-1H-indole-3-carboxylate
CID 112695143
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 3539182
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933
methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate
CID 70590202
methyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-3-carboxylate
CID 121230191

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2,6-dimethyl-1H-indole-3-carboxylate (CID 74890490) is methyl 2,6-dimethyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2,6-dimethyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2,6-dimethyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2cc(C)ccc12.
What is the InChIKey of methyl 2,6-dimethyl-1H-indole-3-carboxylate?
The InChIKey is BHJAYIUKGMSMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-5-9-10(6-7)13-8(2)11(9)12(14)15-3/h4-6,13H,1-3H3.
What are the key properties of methyl 2,6-dimethyl-1H-indole-3-carboxylate?
methyl 2,6-dimethyl-1H-indole-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethyl-1H-indole-3-carboxylate is sourced from PubChem (CID 74890490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).