1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione

C6H3NO4 — CID 156702337

IUPAC1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione
SMILESO=C=C=C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H3NO4/c8-2-1-4-3-5(9)7(11)6(4)10/h11H,3H2
InChIKeyCOCDUIUSJSXBKY-UHFFFAOYSA-N
MW153.09 g/mol
LogP-0.95
Rot. Bonds

About 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione

1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione (PubChem CID 156702337) has the molecular formula C6H3NO4 and a molecular weight of 153.09 g/mol. Its IUPAC name is 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione
PubChem CID156702337
Molecular FormulaC6H3NO4
Molecular Weight153.09 g/mol
Exact Mass153.01
IUPAC Name1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione
SMILESO=C=C=C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H3NO4/c8-2-1-4-3-5(9)7(11)6(4)10/h11H,3H2
InChIKeyCOCDUIUSJSXBKY-UHFFFAOYSA-N
XLogP-0.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione (CID 156702337) is 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione is O=C=C=C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione?
The InChIKey is COCDUIUSJSXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NO4/c8-2-1-4-3-5(9)7(11)6(4)10/h11H,3H2.
What are the key properties of 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione?
1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione has a molecular weight of 153.09 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 156702337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).