3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione

C13H23NO3 — CID 65117523

IUPAC3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)(O)CN1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C13H23NO3/c1-5-12(4,17)9-14-10(15)8-13(6-2,7-3)11(14)16/h17H,5-9H2,1-4H3
InChIKeyJDDSWPKPULOUBF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.71
Rot. Bonds5

About 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione

3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione (PubChem CID 65117523) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione
PubChem CID65117523
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)(O)CN1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C13H23NO3/c1-5-12(4,17)9-14-10(15)8-13(6-2,7-3)11(14)16/h17H,5-9H2,1-4H3
InChIKeyJDDSWPKPULOUBF-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-2-ethylbutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 113283325
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
CID 114147564
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106246315
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727
3-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 64701544
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
CID 61124735
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 106253733
1,3,5-tris(2-hydroxy-2-methylbutyl)-1,3,5-triazinane-2,4,6-trione
CID 163733491
4-(2-hydroxy-2-methylbutyl)-1,2,4-triazolidine-3,5-dione
CID 107409933
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42947874
3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione
CID 54904300

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione (CID 65117523) is 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione is CCC(C)(O)CN1C(=O)CC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione?
The InChIKey is JDDSWPKPULOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-12(4,17)9-14-10(15)8-13(6-2,7-3)11(14)16/h17H,5-9H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65117523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).