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

C13H23IN2O3 — CID 13408913

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O.[I-]
InChIInChI=1S/C13H23N2O3.HI/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyLPMVAWDVPHFFMW-UHFFFAOYSA-M
MW382.24 g/mol
LogP-2.41
Rot. Bonds7

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

[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide (PubChem CID 13408913) has the molecular formula C13H23IN2O3 and a molecular weight of 382.24 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide
PubChem CID13408913
Molecular FormulaC13H23IN2O3
Molecular Weight382.24 g/mol
Exact Mass382.08
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O.[I-]
InChIInChI=1S/C13H23N2O3.HI/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyLPMVAWDVPHFFMW-UHFFFAOYSA-M
XLogP-2.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrolidine-2,3-dione
CID 12211348
1-(3-Oxobutyl)pyrrolidine-2,5-dione
CID 13396265
1-[(Diethylamino)acetyl]pyrrolidin-2-one
CID 746985
1-(2-Oxopyrrolidin-1-yl)butane-1,3-dione
CID 302059
1-Pentyl-pyrrolidinedione
CID 61549040
3-Fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione
CID 166883630
2,5-Pyrrolidinedione, 1-[3-(dimethylamino)propyl]-
CID 547851
N-3-Diethylaminopropylsuccinimide
CID 559520
Succinimidyl tetrabutylammonium iodide
CID 129669047
Acetyltetrahydropyrrole-2,3-dione
CID 129779370
[4-(2,5-Dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium
CID 13408914
2-Pyrrolidinone, 1-[2-oxo-4-(1-pyrrolidinyl)butyl]-
CID 558677

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide (CID 13408913) is [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide is CC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O.[I-].
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide?
The InChIKey is LPMVAWDVPHFFMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23N2O3.HI/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18;/h4-10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide?
[4-(2,5-dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide has a molecular weight of 382.24 g/mol, XLogP of -2.41, 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 iodide is sourced from PubChem (CID 13408913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).