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

C11H10NO3- — CID 6919949

IUPAC5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOc1ccc2[nH]c(C)c(C(=O)[O-])c2c1
InChIInChI=1S/C11H11NO3/c1-6-10(11(13)14)8-5-7(15-2)3-4-9(8)12-6/h3-5,12H,1-2H3,(H,13,14)/p-1
InChIKeyORUFFPUSVXGKCC-UHFFFAOYSA-M
MW204.20 g/mol
LogP0.85
Rot. Bonds2

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

5-methoxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 6919949) has the molecular formula C11H10NO3- and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name5-methoxy-2-methyl-1H-indole-3-carboxylate
PubChem CID6919949
Molecular FormulaC11H10NO3-
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-methoxy-2-methyl-1H-indole-3-carboxylate
SMILESCOc1ccc2[nH]c(C)c(C(=O)[O-])c2c1
InChIInChI=1S/C11H11NO3/c1-6-10(11(13)14)8-5-7(15-2)3-4-9(8)12-6/h3-5,12H,1-2H3,(H,13,14)/p-1
InChIKeyORUFFPUSVXGKCC-UHFFFAOYSA-M
XLogP0.85
TPSA65.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.85
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
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
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
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 84591480
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of 5-methoxy-2-methyl-1H-indole-3-carboxylate (CID 6919949) is 5-methoxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for 5-methoxy-2-methyl-1H-indole-3-carboxylate is COc1ccc2[nH]c(C)c(C(=O)[O-])c2c1.
What is the InChIKey of 5-methoxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is ORUFFPUSVXGKCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO3/c1-6-10(11(13)14)8-5-7(15-2)3-4-9(8)12-6/h3-5,12H,1-2H3,(H,13,14)/p-1.
What are the key properties of 5-methoxy-2-methyl-1H-indole-3-carboxylate?
5-methoxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 204.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 6919949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).