[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide

C9H15BrN2O4 — CID 71752826

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
SMILESC[N+](C)(C)CC(=O)ON1C(=O)CCC1=O.[Br-]
InChIInChI=1S/C9H15N2O4.BrH/c1-11(2,3)6-9(14)15-10-7(12)4-5-8(10)13;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyHERFXNCAXJIPGV-UHFFFAOYSA-M
MW295.13 g/mol
LogP-3.70
Rot. Bonds3

About [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide

[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide (PubChem CID 71752826) has the molecular formula C9H15BrN2O4 and a molecular weight of 295.13 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
PubChem CID71752826
Molecular FormulaC9H15BrN2O4
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
SMILESC[N+](C)(C)CC(=O)ON1C(=O)CCC1=O.[Br-]
InChIInChI=1S/C9H15N2O4.BrH/c1-11(2,3)6-9(14)15-10-7(12)4-5-8(10)13;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyHERFXNCAXJIPGV-UHFFFAOYSA-M
XLogP-3.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-trimethylazanium bromide
CID 87129877
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-1-(trimethylazaniumyl)butyl]-trimethylazanium diiodide
CID 155291293
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide (CID 71752826) is [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide is C[N+](C)(C)CC(=O)ON1C(=O)CCC1=O.[Br-].
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide?
The InChIKey is HERFXNCAXJIPGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N2O4.BrH/c1-11(2,3)6-9(14)15-10-7(12)4-5-8(10)13;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide?
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide has a molecular weight of 295.13 g/mol, XLogP of -3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide is sourced from PubChem (CID 71752826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).