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

C13H23NO3 — CID 114147564

IUPAC3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CCCC(C)O)C1=O
InChIInChI=1S/C13H23NO3/c1-4-13(5-2)9-11(16)14(12(13)17)8-6-7-10(3)15/h10,15H,4-9H2,1-3H3
InChIKeyUQUUCNHLRFYUPF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.71
Rot. Bonds6

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

3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione (PubChem CID 114147564) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
PubChem CID114147564
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CCCC(C)O)C1=O
InChIInChI=1S/C13H23NO3/c1-4-13(5-2)9-11(16)14(12(13)17)8-6-7-10(3)15/h10,15H,4-9H2,1-3H3
InChIKeyUQUUCNHLRFYUPF-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione (CID 114147564) is 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(CCCC(C)O)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione?
The InChIKey is UQUUCNHLRFYUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(5-2)9-11(16)14(12(13)17)8-6-7-10(3)15/h10,15H,4-9H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 1.71, 6 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-hydroxypentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 114147564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).