3-(1-hydroxyethyl)pyrrolidine-2,5-dione

C6H9NO3 — CID 19380792

IUPAC3-(1-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCC(O)C1CC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-3(8)4-2-5(9)7-6(4)10/h3-4,8H,2H2,1H3,(H,7,9,10)
InChIKeyDRIPTMQSKBYNLM-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.97
Rot. Bonds1

About 3-(1-hydroxyethyl)pyrrolidine-2,5-dione

3-(1-hydroxyethyl)pyrrolidine-2,5-dione (PubChem CID 19380792) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-hydroxyethyl)pyrrolidine-2,5-dione
PubChem CID19380792
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-(1-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCC(O)C1CC(=O)NC1=O
InChIInChI=1S/C6H9NO3/c1-3(8)4-2-5(9)7-6(4)10/h3-4,8H,2H2,1H3,(H,7,9,10)
InChIKeyDRIPTMQSKBYNLM-UHFFFAOYSA-N
XLogP-0.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-hydroxyethyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-hydroxyethyl)pyrrolidine-2,5-dione (CID 19380792) is 3-(1-hydroxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-hydroxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-hydroxyethyl)pyrrolidine-2,5-dione is CC(O)C1CC(=O)NC1=O.
What is the InChIKey of 3-(1-hydroxyethyl)pyrrolidine-2,5-dione?
The InChIKey is DRIPTMQSKBYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3(8)4-2-5(9)7-6(4)10/h3-4,8H,2H2,1H3,(H,7,9,10).
What are the key properties of 3-(1-hydroxyethyl)pyrrolidine-2,5-dione?
3-(1-hydroxyethyl)pyrrolidine-2,5-dione has a molecular weight of 143.14 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19380792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).