pyrrolidine-2,5-dione

C4H5NO2 — CID 11439

💊View drug profile → succinimide
IUPACpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
InChIKeyKZNICNPSHKQLFF-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.58
Rot. Bonds

About pyrrolidine-2,5-dione

pyrrolidine-2,5-dione (PubChem CID 11439) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is pyrrolidine-2,5-dione.

Molecular Properties

Compound Namepyrrolidine-2,5-dione
PubChem CID11439
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Namepyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
InChIKeyKZNICNPSHKQLFF-UHFFFAOYSA-N
XLogP-0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Iodosuccinimide
CID 120273
3-Methylpyrrolidine-2,5-dione
CID 138540
2,2-Dimethylsuccinimide
CID 225678
3,4-Dimethylpyrrolidine-2,5-dione
CID 3550866
NoName_42
CID 21265417
Triethylstannylsuccinimide
CID 3016829
2,5-Pyrrolidinedione, sodium salt
CID 12621758
Fluorosuccinimide
CID 19930453
(3R,4R)-3,4-dimethylpyrrolidine-2,5-dione
CID 337234
(3R)-3-sulfanylpyrrolidine-2,5-dione
CID 129075253
Lithium succinimide
CID 11251970
(3S)-3-methylpyrrolidine-2,5-dione
CID 12400437

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,5-dione?
The IUPAC name of pyrrolidine-2,5-dione (CID 11439) is pyrrolidine-2,5-dione.
What is the SMILES notation for pyrrolidine-2,5-dione?
The canonical SMILES for pyrrolidine-2,5-dione is O=C1CCC(=O)N1.
What is the InChIKey of pyrrolidine-2,5-dione?
The InChIKey is KZNICNPSHKQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7).
What are the key properties of pyrrolidine-2,5-dione?
pyrrolidine-2,5-dione has a molecular weight of 99.09 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione is sourced from PubChem (CID 11439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).