[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium

C14H19N2O2+ — CID 3714980

IUPAC[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc2[nH]c(C)c(C(=O)C[NH+](C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9-14(13(17)8-16(2)3)11-7-10(18-4)5-6-12(11)15-9/h5-7,15H,8H2,1-4H3/p+1
InChIKeyFOHUFBDYHGPCAD-UHFFFAOYSA-O
MW247.32 g/mol
LogP0.81
Rot. Bonds4

About [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium

[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium (PubChem CID 3714980) has the molecular formula C14H19N2O2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
PubChem CID3714980
Molecular FormulaC14H19N2O2+
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc2[nH]c(C)c(C(=O)C[NH+](C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9-14(13(17)8-16(2)3)11-7-10(18-4)5-6-12(11)15-9/h5-7,15H,8H2,1-4H3/p+1
InChIKeyFOHUFBDYHGPCAD-UHFFFAOYSA-O
XLogP0.81
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
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
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 951271
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 7447854
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium (CID 3714980) is [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium is COc1ccc2[nH]c(C)c(C(=O)C[NH+](C)C)c2c1.
What is the InChIKey of [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium?
The InChIKey is FOHUFBDYHGPCAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O2/c1-9-14(13(17)8-16(2)3)11-7-10(18-4)5-6-12(11)15-9/h5-7,15H,8H2,1-4H3/p+1.
What are the key properties of [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium?
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium has a molecular weight of 247.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 3714980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).