[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium

C15H21N2O2+ — CID 3714981

IUPAC[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc2c(c1)c(C(=O)C[NH+](C)C)c(C)n2C
InChIInChI=1S/C15H20N2O2/c1-10-15(14(18)9-16(2)3)12-8-11(19-5)6-7-13(12)17(10)4/h6-8H,9H2,1-5H3/p+1
InChIKeyHDONQMSRRYMBOE-UHFFFAOYSA-O
MW261.35 g/mol
LogP0.82
Rot. Bonds4

About [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium

[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium (PubChem CID 3714981) has the molecular formula C15H21N2O2+ and a molecular weight of 261.35 g/mol. Its IUPAC name is [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
PubChem CID3714981
Molecular FormulaC15H21N2O2+
Molecular Weight261.35 g/mol
Exact Mass261.16
IUPAC Name[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc2c(c1)c(C(=O)C[NH+](C)C)c(C)n2C
InChIInChI=1S/C15H20N2O2/c1-10-15(14(18)9-16(2)3)12-8-11(19-5)6-7-13(12)17(10)4/h6-8H,9H2,1-5H3/p+1
InChIKeyHDONQMSRRYMBOE-UHFFFAOYSA-O
XLogP0.82
TPSA35.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-one
CID 7370847
3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
CID 91638253
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 718268
2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 916245
2-[[5,6-bis(4-hydroxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 135476949
2-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxyethyl-dimethylazanium
CID 4075047
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium (CID 3714981) is [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium is COc1ccc2c(c1)c(C(=O)C[NH+](C)C)c(C)n2C.
What is the InChIKey of [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium?
The InChIKey is HDONQMSRRYMBOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O2/c1-10-15(14(18)9-16(2)3)12-8-11(19-5)6-7-13(12)17(10)4/h6-8H,9H2,1-5H3/p+1.
What are the key properties of [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium?
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium has a molecular weight of 261.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 3714981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).