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

C12H21NO3 — CID 83188528

IUPAC3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)CCO)C1=O
InChIInChI=1S/C12H21NO3/c1-4-12(5-2)8-10(15)13(11(12)16)9(3)6-7-14/h9,14H,4-8H2,1-3H3
InChIKeyDLHJOKBDLVGVLC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.32
Rot. Bonds5

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

3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 83188528) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione
PubChem CID83188528
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C(C)CCO)C1=O
InChIInChI=1S/C12H21NO3/c1-4-12(5-2)8-10(15)13(11(12)16)9(3)6-7-14/h9,14H,4-8H2,1-3H3
InChIKeyDLHJOKBDLVGVLC-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.32
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-hydroxypentan-2-yl)pyrrolidine-2,5-dione
CID 113376656
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
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)pentanenitrile
CID 54904839
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
CID 114147564
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131
3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
CID 55082024
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 65298317
2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106159175

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione (CID 83188528) is 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C(C)CCO)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is DLHJOKBDLVGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-12(5-2)8-10(15)13(11(12)16)9(3)6-7-14/h9,14H,4-8H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.32, 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-hydroxybutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 83188528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).