3-hydroxy-4-methylpyrrolidine-2,5-dione

C5H7NO3 — CID 130131261

IUPAC3-hydroxy-4-methylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1O
InChIInChI=1S/C5H7NO3/c1-2-3(7)5(9)6-4(2)8/h2-3,7H,1H3,(H,6,8,9)
InChIKeyOVLPGXYLWXPCKK-UHFFFAOYSA-N
MW129.11 g/mol
LogP-1.36
Rot. Bonds

About 3-hydroxy-4-methylpyrrolidine-2,5-dione

3-hydroxy-4-methylpyrrolidine-2,5-dione (PubChem CID 130131261) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-hydroxy-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-methylpyrrolidine-2,5-dione
PubChem CID130131261
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-hydroxy-4-methylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1O
InChIInChI=1S/C5H7NO3/c1-2-3(7)5(9)6-4(2)8/h2-3,7H,1H3,(H,6,8,9)
InChIKeyOVLPGXYLWXPCKK-UHFFFAOYSA-N
XLogP-1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-4-methylpyrrolidine-2,5-dione (CID 130131261) is 3-hydroxy-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-4-methylpyrrolidine-2,5-dione is CC1C(=O)NC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-methylpyrrolidine-2,5-dione?
The InChIKey is OVLPGXYLWXPCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3(7)5(9)6-4(2)8/h2-3,7H,1H3,(H,6,8,9).
What are the key properties of 3-hydroxy-4-methylpyrrolidine-2,5-dione?
3-hydroxy-4-methylpyrrolidine-2,5-dione has a molecular weight of 129.11 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 130131261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).