(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide

C15H22BrN2O2+ — CID 126959212

IUPAC(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
SMILESBr.CC[N+](CC)(CC)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H21N2O2.BrH/c1-4-17(5-2,6-3)11-16-14(18)12-9-7-8-10-13(12)15(16)19;/h7-10H,4-6,11H2,1-3H3;1H/q+1;
InChIKeyZLOUQEXHFBNJNH-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.69
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide

(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide (PubChem CID 126959212) has the molecular formula C15H22BrN2O2+ and a molecular weight of 342.26 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
PubChem CID126959212
Molecular FormulaC15H22BrN2O2+
Molecular Weight342.26 g/mol
Exact Mass341.09
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
SMILESBr.CC[N+](CC)(CC)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H21N2O2.BrH/c1-4-17(5-2,6-3)11-16-14(18)12-9-7-8-10-13(12)15(16)19;/h7-10H,4-6,11H2,1-3H3;1H/q+1;
InChIKeyZLOUQEXHFBNJNH-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
CID 26723330
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-(trimethylstannylmethyl)isoindole-1,3-dione
CID 10426383
hydron;2-propylisoindole-1,3-dione
CID 174827386
3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-(triethylazaniumyl)hexyl]azanium dibromide
CID 10099667
decyl-[(1,3-dioxoisoindol-2-yl)methyl]-dimethylazanium bromide
CID 45048265
2-hex-2-ynylisoindole-1,3-dione
CID 15470515
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide (CID 126959212) is (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide is Br.CC[N+](CC)(CC)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide?
The InChIKey is ZLOUQEXHFBNJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O2.BrH/c1-4-17(5-2,6-3)11-16-14(18)12-9-7-8-10-13(12)15(16)19;/h7-10H,4-6,11H2,1-3H3;1H/q+1;.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide?
(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide has a molecular weight of 342.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide is sourced from PubChem (CID 126959212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).