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

C11H11NO4 — CID 519682

IUPAC1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1C(O)C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2
InChIKeyIZBMPGFJNIDMRR-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.72
Rot. Bonds2

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

1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 519682) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID519682
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1C(O)C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2
InChIKeyIZBMPGFJNIDMRR-UHFFFAOYSA-N
XLogP-0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 519682) is 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione is O=C1C(O)C(O)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is IZBMPGFJNIDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2.
What are the key properties of 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione?
1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 221.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 519682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).