1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione

C19H19NO2 — CID 2849902

IUPAC1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H19NO2/c1-14(16-10-6-3-7-11-16)17-12-18(21)20(19(17)22)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyNMEPQDAGKXIZJG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.37
Rot. Bonds4

About 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione

1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2849902) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2849902
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H19NO2/c1-14(16-10-6-3-7-11-16)17-12-18(21)20(19(17)22)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyNMEPQDAGKXIZJG-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.37
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 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 2849902) is 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione is CC(c1ccccc1)C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is NMEPQDAGKXIZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(16-10-6-3-7-11-16)17-12-18(21)20(19(17)22)13-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2849902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).