3-ethyl-4-hydroxypyrrole-2,5-dione

C6H7NO3 — CID 66831455

IUPAC3-ethyl-4-hydroxypyrrole-2,5-dione
SMILESCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C6H7NO3/c1-2-3-4(8)6(10)7-5(3)9/h2H2,1H3,(H2,7,8,9,10)
InChIKeyTVAPYRDIAMMXAG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.14
Rot. Bonds1

About 3-ethyl-4-hydroxypyrrole-2,5-dione

3-ethyl-4-hydroxypyrrole-2,5-dione (PubChem CID 66831455) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-ethyl-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-hydroxypyrrole-2,5-dione
PubChem CID66831455
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-ethyl-4-hydroxypyrrole-2,5-dione
SMILESCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C6H7NO3/c1-2-3-4(8)6(10)7-5(3)9/h2H2,1H3,(H2,7,8,9,10)
InChIKeyTVAPYRDIAMMXAG-UHFFFAOYSA-N
XLogP-0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-hydroxypyrrole-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-ethyl-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-ethyl-4-hydroxypyrrole-2,5-dione (CID 66831455) is 3-ethyl-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-ethyl-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-ethyl-4-hydroxypyrrole-2,5-dione is CCC1=C(O)C(=O)NC1=O.
What is the InChIKey of 3-ethyl-4-hydroxypyrrole-2,5-dione?
The InChIKey is TVAPYRDIAMMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-3-4(8)6(10)7-5(3)9/h2H2,1H3,(H2,7,8,9,10).
What are the key properties of 3-ethyl-4-hydroxypyrrole-2,5-dione?
3-ethyl-4-hydroxypyrrole-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 66831455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).