3-(oxomethylidene)pyrrolidine-2,5-dione

C5H3NO3 — CID 57198639

IUPAC3-(oxomethylidene)pyrrolidine-2,5-dione
SMILESO=C=C1CC(=O)NC1=O
InChIInChI=1S/C5H3NO3/c7-2-3-1-4(8)6-5(3)9/h1H2,(H,6,8,9)
InChIKeyZQVRHXLFRLXTGJ-UHFFFAOYSA-N
MW125.08 g/mol
LogP-1.21
Rot. Bonds

About 3-(oxomethylidene)pyrrolidine-2,5-dione

3-(oxomethylidene)pyrrolidine-2,5-dione (PubChem CID 57198639) has the molecular formula C5H3NO3 and a molecular weight of 125.08 g/mol. Its IUPAC name is 3-(oxomethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(oxomethylidene)pyrrolidine-2,5-dione
PubChem CID57198639
Molecular FormulaC5H3NO3
Molecular Weight125.08 g/mol
Exact Mass125.01
IUPAC Name3-(oxomethylidene)pyrrolidine-2,5-dione
SMILESO=C=C1CC(=O)NC1=O
InChIInChI=1S/C5H3NO3/c7-2-3-1-4(8)6-5(3)9/h1H2,(H,6,8,9)
InChIKeyZQVRHXLFRLXTGJ-UHFFFAOYSA-N
XLogP-1.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.08
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxomethylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(oxomethylidene)pyrrolidine-2,5-dione (CID 57198639) is 3-(oxomethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(oxomethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(oxomethylidene)pyrrolidine-2,5-dione is O=C=C1CC(=O)NC1=O.
What is the InChIKey of 3-(oxomethylidene)pyrrolidine-2,5-dione?
The InChIKey is ZQVRHXLFRLXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO3/c7-2-3-1-4(8)6-5(3)9/h1H2,(H,6,8,9).
What are the key properties of 3-(oxomethylidene)pyrrolidine-2,5-dione?
3-(oxomethylidene)pyrrolidine-2,5-dione has a molecular weight of 125.08 g/mol, XLogP of -1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxomethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 57198639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).