4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide

C15H24INO3 — CID 156889459

IUPAC4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
SMILESCC(C)C1CC(=O)N(C(C)(C)CC(C)(C)C(=O)I)C1=O
InChIInChI=1S/C15H24INO3/c1-9(2)10-7-11(18)17(12(10)19)15(5,6)8-14(3,4)13(16)20/h9-10H,7-8H2,1-6H3
InChIKeyGAFJHDRJFBYYNX-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.17
Rot. Bonds5

About 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide

4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide (PubChem CID 156889459) has the molecular formula C15H24INO3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide.

Molecular Properties

Compound Name4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
PubChem CID156889459
Molecular FormulaC15H24INO3
Molecular Weight393.27 g/mol
Exact Mass393.08
IUPAC Name4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
SMILESCC(C)C1CC(=O)N(C(C)(C)CC(C)(C)C(=O)I)C1=O
InChIInChI=1S/C15H24INO3/c1-9(2)10-7-11(18)17(12(10)19)15(5,6)8-14(3,4)13(16)20/h9-10H,7-8H2,1-6H3
InChIKeyGAFJHDRJFBYYNX-UHFFFAOYSA-N
XLogP3.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethyl-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentanoyl iodide
CID 155374910
1-(2,4-dimethylpentan-2-yl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 137419712
4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
CID 171558009
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
1-tert-butyl-3-(2,4-dioxopentan-3-yl)pyrrolidine-2,5-dione
CID 146162760
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
3-hexyl-1-(2,4,4-trimethyl-5-oxohexan-2-yl)pyrrolidine-2,5-dione
CID 134506977
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 170724271
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide?
The IUPAC name of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide (CID 156889459) is 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide.
What is the SMILES notation for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide?
The canonical SMILES for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide is CC(C)C1CC(=O)N(C(C)(C)CC(C)(C)C(=O)I)C1=O.
What is the InChIKey of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide?
The InChIKey is GAFJHDRJFBYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24INO3/c1-9(2)10-7-11(18)17(12(10)19)15(5,6)8-14(3,4)13(16)20/h9-10H,7-8H2,1-6H3.
What are the key properties of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide?
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide has a molecular weight of 393.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide is sourced from PubChem (CID 156889459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).