1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C12H13NO2 — CID 604823

IUPAC1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(C)=O)c2c1
InChIInChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15-3)4-5-11(10)13-7/h4-6,13H,1-3H3
InChIKeyPLKHPGZPVMZOQI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 604823) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID604823
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(C)=O)c2c1
InChIInChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15-3)4-5-11(10)13-7/h4-6,13H,1-3H3
InChIKeyPLKHPGZPVMZOQI-UHFFFAOYSA-N
XLogP2.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
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
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 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 604823) is 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is COc1ccc2[nH]c(C)c(C(C)=O)c2c1.
What is the InChIKey of 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is PLKHPGZPVMZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15-3)4-5-11(10)13-7/h4-6,13H,1-3H3.
What are the key properties of 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 604823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).