5-(2-hydroxyethyl)pyrrolidine-2,4-dione

C6H9NO3 — CID 55299390

IUPAC5-(2-hydroxyethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(CCO)N1
InChIInChI=1S/C6H9NO3/c8-2-1-4-5(9)3-6(10)7-4/h4,8H,1-3H2,(H,7,10)
InChIKeyLFPMERCOFQDLKZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.17
Rot. Bonds2

About 5-(2-hydroxyethyl)pyrrolidine-2,4-dione

5-(2-hydroxyethyl)pyrrolidine-2,4-dione (PubChem CID 55299390) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxyethyl)pyrrolidine-2,4-dione
PubChem CID55299390
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5-(2-hydroxyethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(CCO)N1
InChIInChI=1S/C6H9NO3/c8-2-1-4-5(9)3-6(10)7-4/h4,8H,1-3H2,(H,7,10)
InChIKeyLFPMERCOFQDLKZ-UHFFFAOYSA-N
XLogP-1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)pyrrolidine-2,4-dione?
The IUPAC name of 5-(2-hydroxyethyl)pyrrolidine-2,4-dione (CID 55299390) is 5-(2-hydroxyethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxyethyl)pyrrolidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxyethyl)pyrrolidine-2,4-dione is O=C1CC(=O)C(CCO)N1.
What is the InChIKey of 5-(2-hydroxyethyl)pyrrolidine-2,4-dione?
The InChIKey is LFPMERCOFQDLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-2-1-4-5(9)3-6(10)7-4/h4,8H,1-3H2,(H,7,10).
What are the key properties of 5-(2-hydroxyethyl)pyrrolidine-2,4-dione?
5-(2-hydroxyethyl)pyrrolidine-2,4-dione has a molecular weight of 143.14 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 55299390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).