1-hydroxy-3-methylidenepyrrolidine-2,5-dione

C5H5NO3 — CID 12594427

IUPAC1-hydroxy-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(O)C1=O
InChIInChI=1S/C5H5NO3/c1-3-2-4(7)6(9)5(3)8/h9H,1-2H2
InChIKeyZVYOYGKUHZSBOZ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.31
Rot. Bonds

About 1-hydroxy-3-methylidenepyrrolidine-2,5-dione

1-hydroxy-3-methylidenepyrrolidine-2,5-dione (PubChem CID 12594427) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1-hydroxy-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-methylidenepyrrolidine-2,5-dione
PubChem CID12594427
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1-hydroxy-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(O)C1=O
InChIInChI=1S/C5H5NO3/c1-3-2-4(7)6(9)5(3)8/h9H,1-2H2
InChIKeyZVYOYGKUHZSBOZ-UHFFFAOYSA-N
XLogP-0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxy-3-methylidenepyrrolidin-2-one
CID 20339194
Carbanide;3-methylidenepyrrolidin-1-ide-2,5-dione;tungsten(2+)
CID 22891781
1-Hydroxy-3-(oxomethylidene)pyrrolidine-2,5-dione
CID 53741859
1-Hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione
CID 123728448
3-Methylidene-1-sulfanylpyrrolidine-2,5-dione
CID 144953840
1-Iodo-3-methylidenepyrrolidine-2,5-dione
CID 145858503
1-Acetyl-3-methylidenepyrrolidine-2,5-dione
CID 155351080
1-Hydroxy-3-(2-oxoethenylidene)pyrrolidine-2,5-dione
CID 156702337
1-Bromo-3-methylidenepyrrolidine-2,5-dione
CID 159865706
1-Ethynyl-3-methylidenepyrrolidine-2,5-dione
CID 164846198
CID 171103532
CID 171103532
3-Methylidenepyrrolidine-2,5-dione;hydrate
CID 174533911

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-methylidenepyrrolidine-2,5-dione (CID 12594427) is 1-hydroxy-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is ZVYOYGKUHZSBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-3-2-4(7)6(9)5(3)8/h9H,1-2H2.
What are the key properties of 1-hydroxy-3-methylidenepyrrolidine-2,5-dione?
1-hydroxy-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 127.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 12594427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).