1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione

C8H11NO3 — CID 11126684

IUPAC1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione
SMILESCCN1C(=O)C(=O)C(C)(C)C1=O
InChIInChI=1S/C8H11NO3/c1-4-9-6(11)5(10)8(2,3)7(9)12/h4H2,1-3H3
InChIKeyMHRDLZBXLQEOCC-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.03
Rot. Bonds1

About 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione

1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione (PubChem CID 11126684) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione
PubChem CID11126684
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione
SMILESCCN1C(=O)C(=O)C(C)(C)C1=O
InChIInChI=1S/C8H11NO3/c1-4-9-6(11)5(10)8(2,3)7(9)12/h4H2,1-3H3
InChIKeyMHRDLZBXLQEOCC-UHFFFAOYSA-N
XLogP-0.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione?
The IUPAC name of 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione (CID 11126684) is 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione.
What is the SMILES notation for 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione?
The canonical SMILES for 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione is CCN1C(=O)C(=O)C(C)(C)C1=O.
What is the InChIKey of 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione?
The InChIKey is MHRDLZBXLQEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-9-6(11)5(10)8(2,3)7(9)12/h4H2,1-3H3.
What are the key properties of 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione?
1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione has a molecular weight of 169.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione is sourced from PubChem (CID 11126684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).