3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione

C11H19NO3 — CID 56981015

IUPAC3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCO)C1=O
InChIInChI=1S/C11H19NO3/c1-3-11(2)8-9(14)12(10(11)15)6-4-5-7-13/h13H,3-8H2,1-2H3
InChIKeyFVMLULHJMKISQC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.93
Rot. Bonds5

About 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione

3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 56981015) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione
PubChem CID56981015
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCO)C1=O
InChIInChI=1S/C11H19NO3/c1-3-11(2)8-9(14)12(10(11)15)6-4-5-7-13/h13H,3-8H2,1-2H3
InChIKeyFVMLULHJMKISQC-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione (CID 56981015) is 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(CCCCO)C1=O.
What is the InChIKey of 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is FVMLULHJMKISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-11(2)8-9(14)12(10(11)15)6-4-5-7-13/h13H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione?
3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 56981015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).