(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione

C12H13NO2 — CID 67599983

IUPAC(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyYXXYYYAEJRQKLC-VIFPVBQESA-N
MW203.24 g/mol
LogP1.58
Rot. Bonds2

About (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione

(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione (PubChem CID 67599983) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione
PubChem CID67599983
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyYXXYYYAEJRQKLC-VIFPVBQESA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione (CID 67599983) is (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione is C[C@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is YXXYYYAEJRQKLC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione?
(3S)-1-benzyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 67599983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).