1-benzyl-3,4-dimethylpyrrolidine-2,5-dione

C13H15NO2 — CID 15090444

IUPAC1-benzyl-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccccc2)C(=O)C1C
InChIInChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyDYFWRDJHUDMNDH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds2

About 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione

1-benzyl-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 15090444) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID15090444
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-benzyl-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccccc2)C(=O)C1C
InChIInChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyDYFWRDJHUDMNDH-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
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-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione (CID 15090444) is 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2ccccc2)C(=O)C1C.
What is the InChIKey of 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is DYFWRDJHUDMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione?
1-benzyl-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 15090444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).