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

C15H19NO2 — CID 3063572

IUPAC3-benzyl-1-butylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-2-3-9-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyYAHJRAUNYSEJKY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.40
Rot. Bonds5

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

3-benzyl-1-butylpyrrolidine-2,5-dione (PubChem CID 3063572) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-benzyl-1-butylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-butylpyrrolidine-2,5-dione
PubChem CID3063572
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-benzyl-1-butylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-2-3-9-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyYAHJRAUNYSEJKY-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.40
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-butylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-butylpyrrolidine-2,5-dione (CID 3063572) is 3-benzyl-1-butylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-butylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-butylpyrrolidine-2,5-dione is CCCCN1C(=O)CC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-butylpyrrolidine-2,5-dione?
The InChIKey is YAHJRAUNYSEJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-9-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 3-benzyl-1-butylpyrrolidine-2,5-dione?
3-benzyl-1-butylpyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-butylpyrrolidine-2,5-dione is sourced from PubChem (CID 3063572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).