pyrrolidine-2,5-dione

C8H10N2O4 — CID 18362525

IUPACpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2/c2*6-3-1-2-4(7)5-3/h2*1-2H2,(H,5,6,7)
InChIKeyYDVMDJMNQSRVIH-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.15
Rot. Bonds

About pyrrolidine-2,5-dione

pyrrolidine-2,5-dione (PubChem CID 18362525) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is pyrrolidine-2,5-dione.

Molecular Properties

Compound Namepyrrolidine-2,5-dione
PubChem CID18362525
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namepyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2/c2*6-3-1-2-4(7)5-3/h2*1-2H2,(H,5,6,7)
InChIKeyYDVMDJMNQSRVIH-UHFFFAOYSA-N
XLogP-1.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.15
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 pyrrolidine-2,5-dione?
The IUPAC name of pyrrolidine-2,5-dione (CID 18362525) 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.O=C1CCC(=O)N1.
What is the InChIKey of pyrrolidine-2,5-dione?
The InChIKey is YDVMDJMNQSRVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO2/c2*6-3-1-2-4(7)5-3/h2*1-2H2,(H,5,6,7).
What are the key properties of pyrrolidine-2,5-dione?
pyrrolidine-2,5-dione has a molecular weight of 198.18 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione is sourced from PubChem (CID 18362525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).