1-benzylpyrrolidine-2,3-dione

C11H11NO2 — CID 11171472

IUPAC1-benzylpyrrolidine-2,3-dione
SMILESO=C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c13-10-6-7-12(11(10)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeySYXGGMOJCHZAAY-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.99
Rot. Bonds2

About 1-benzylpyrrolidine-2,3-dione

1-benzylpyrrolidine-2,3-dione (PubChem CID 11171472) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-benzylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-benzylpyrrolidine-2,3-dione
PubChem CID11171472
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-benzylpyrrolidine-2,3-dione
SMILESO=C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c13-10-6-7-12(11(10)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeySYXGGMOJCHZAAY-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine-2,3-dione?
The IUPAC name of 1-benzylpyrrolidine-2,3-dione (CID 11171472) is 1-benzylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-benzylpyrrolidine-2,3-dione?
The canonical SMILES for 1-benzylpyrrolidine-2,3-dione is O=C1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzylpyrrolidine-2,3-dione?
The InChIKey is SYXGGMOJCHZAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-6-7-12(11(10)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-benzylpyrrolidine-2,3-dione?
1-benzylpyrrolidine-2,3-dione has a molecular weight of 189.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine-2,3-dione is sourced from PubChem (CID 11171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).