pyrrole-2,5-dione;pyrrolidine-2,5-dione

C8H8N2O4 — CID 67242374

IUPACpyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2/c2*6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7)
InChIKeyIFIJJMKUTOBNME-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.38
Rot. Bonds

About pyrrole-2,5-dione;pyrrolidine-2,5-dione

pyrrole-2,5-dione;pyrrolidine-2,5-dione (PubChem CID 67242374) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is pyrrole-2,5-dione;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namepyrrole-2,5-dione;pyrrolidine-2,5-dione
PubChem CID67242374
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namepyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2/c2*6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7)
InChIKeyIFIJJMKUTOBNME-UHFFFAOYSA-N
XLogP-1.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.38
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 pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The IUPAC name of pyrrole-2,5-dione;pyrrolidine-2,5-dione (CID 67242374) is pyrrole-2,5-dione;pyrrolidine-2,5-dione.
What is the SMILES notation for pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The canonical SMILES for pyrrole-2,5-dione;pyrrolidine-2,5-dione is O=C1C=CC(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The InChIKey is IFIJJMKUTOBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H3NO2/c2*6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7).
What are the key properties of pyrrole-2,5-dione;pyrrolidine-2,5-dione?
pyrrole-2,5-dione;pyrrolidine-2,5-dione has a molecular weight of 196.16 g/mol, XLogP of -1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2,5-dione;pyrrolidine-2,5-dione is sourced from PubChem (CID 67242374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).