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

C5H7NO3 — CID 21494717

IUPAC1-hydroxy-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(O)C1=O
InChIInChI=1S/C5H7NO3/c1-3-2-4(7)6(9)5(3)8/h3,9H,2H2,1H3
InChIKeyCWJAAGIABCRGGL-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.23
Rot. Bonds

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

1-hydroxy-3-methylpyrrolidine-2,5-dione (PubChem CID 21494717) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 1-hydroxy-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-methylpyrrolidine-2,5-dione
PubChem CID21494717
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name1-hydroxy-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(O)C1=O
InChIInChI=1S/C5H7NO3/c1-3-2-4(7)6(9)5(3)8/h3,9H,2H2,1H3
InChIKeyCWJAAGIABCRGGL-UHFFFAOYSA-N
XLogP-0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-methylpyrrolidine-2,5-dione (CID 21494717) is 1-hydroxy-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-methylpyrrolidine-2,5-dione?
The InChIKey is CWJAAGIABCRGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-2-4(7)6(9)5(3)8/h3,9H,2H2,1H3.
What are the key properties of 1-hydroxy-3-methylpyrrolidine-2,5-dione?
1-hydroxy-3-methylpyrrolidine-2,5-dione has a molecular weight of 129.11 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 21494717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).