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

C12H13NO2 — CID 3064864

IUPAC3-benzyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-13-11(14)8-10(12(13)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyTXIGOPRORHLHRO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds2

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

3-benzyl-1-methylpyrrolidine-2,5-dione (PubChem CID 3064864) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-benzyl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-methylpyrrolidine-2,5-dione
PubChem CID3064864
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-benzyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-13-11(14)8-10(12(13)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyTXIGOPRORHLHRO-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-methylpyrrolidine-2,5-dione (CID 3064864) is 3-benzyl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-methylpyrrolidine-2,5-dione?
The InChIKey is TXIGOPRORHLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-11(14)8-10(12(13)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-benzyl-1-methylpyrrolidine-2,5-dione?
3-benzyl-1-methylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 3064864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).