3-benzyl-1-ethylpyrrolidine-2,5-dione

C13H15NO2 — CID 3063281

IUPAC3-benzyl-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-2-14-12(15)9-11(13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyYJZDZXWBSXLMIE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds3

About 3-benzyl-1-ethylpyrrolidine-2,5-dione

3-benzyl-1-ethylpyrrolidine-2,5-dione (PubChem CID 3063281) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-benzyl-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-ethylpyrrolidine-2,5-dione
PubChem CID3063281
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-benzyl-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-2-14-12(15)9-11(13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyYJZDZXWBSXLMIE-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-ethylpyrrolidine-2,5-dione (CID 3063281) is 3-benzyl-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-ethylpyrrolidine-2,5-dione?
The InChIKey is YJZDZXWBSXLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-14-12(15)9-11(13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 3-benzyl-1-ethylpyrrolidine-2,5-dione?
3-benzyl-1-ethylpyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 3063281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).