3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione

C13H23NO3 — CID 113376656

IUPAC3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)CC(C)O)C1=O
InChIInChI=1S/C13H23NO3/c1-5-13(6-2)8-11(16)14(12(13)17)9(3)7-10(4)15/h9-10,15H,5-8H2,1-4H3
InChIKeyYIFRKAMXIHCNNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.71
Rot. Bonds5

About 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione

3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione (PubChem CID 113376656) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione
PubChem CID113376656
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)CC(C)O)C1=O
InChIInChI=1S/C13H23NO3/c1-5-13(6-2)8-11(16)14(12(13)17)9(3)7-10(4)15/h9-10,15H,5-8H2,1-4H3
InChIKeyYIFRKAMXIHCNNI-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

3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione
CID 83188528
3-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)butanethioamide
CID 55033428
3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
CID 61207899
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
CID 114147564
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)pentanenitrile
CID 54904839
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
2-[4-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 43437490
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65298317
3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 42947875
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42955368
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione (CID 113376656) is 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C(C)CC(C)O)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is YIFRKAMXIHCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-13(6-2)8-11(16)14(12(13)17)9(3)7-10(4)15/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(4-hydroxypentan-2-yl)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-(4-hydroxypentan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 113376656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).