[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium

C13H23N2O3+ — CID 13408914

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H23N2O3/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18/h4-10H2,1-3H3/q+1
InChIKeyCBKOWKUYRSGPSW-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.58
Rot. Bonds7

About [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium

[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium (PubChem CID 13408914) has the molecular formula C13H23N2O3+ and a molecular weight of 255.34 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium
PubChem CID13408914
Molecular FormulaC13H23N2O3+
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H23N2O3/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18/h4-10H2,1-3H3/q+1
InChIKeyCBKOWKUYRSGPSW-UHFFFAOYSA-N
XLogP0.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium (CID 13408914) is [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium is CC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium?
The InChIKey is CBKOWKUYRSGPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O3/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18/h4-10H2,1-3H3/q+1.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium?
[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium has a molecular weight of 255.34 g/mol, XLogP of 0.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium is sourced from PubChem (CID 13408914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).