methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate

C12H13NO3 — CID 76852322

IUPACmethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C12H13NO3/c1-7-11(12(14)16-3)9-6-8(15-2)4-5-10(9)13-7/h4-6,13H,1-3H3
InChIKeyWXBFWCWUWOVQQB-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.27
Rot. Bonds2

About methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate

methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 76852322) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
PubChem CID76852322
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C12H13NO3/c1-7-11(12(14)16-3)9-6-8(15-2)4-5-10(9)13-7/h4-6,13H,1-3H3
InChIKeyWXBFWCWUWOVQQB-UHFFFAOYSA-N
XLogP2.27
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
methyl 6-methoxy-3-methyl-9H-carbazole-4-carboxylate
CID 86129099
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate (CID 76852322) is methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2ccc(OC)cc12.
What is the InChIKey of methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is WXBFWCWUWOVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-11(12(14)16-3)9-6-8(15-2)4-5-10(9)13-7/h4-6,13H,1-3H3.
What are the key properties of methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate?
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 76852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).