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

C7H9NO3 — CID 154109819

IUPAC3-hydroxy-4-propylpyrrole-2,5-dione
SMILESCCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-4-5(9)7(11)8-6(4)10/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyVLOGIMLZARQNJB-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.25
Rot. Bonds2

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

3-hydroxy-4-propylpyrrole-2,5-dione (PubChem CID 154109819) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-hydroxy-4-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-propylpyrrole-2,5-dione
PubChem CID154109819
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-hydroxy-4-propylpyrrole-2,5-dione
SMILESCCCC1=C(O)C(=O)NC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-4-5(9)7(11)8-6(4)10/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyVLOGIMLZARQNJB-UHFFFAOYSA-N
XLogP0.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-propylpyrrole-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-hydroxy-4-propylpyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-propylpyrrole-2,5-dione (CID 154109819) is 3-hydroxy-4-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-propylpyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-propylpyrrole-2,5-dione is CCCC1=C(O)C(=O)NC1=O.
What is the InChIKey of 3-hydroxy-4-propylpyrrole-2,5-dione?
The InChIKey is VLOGIMLZARQNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-4-5(9)7(11)8-6(4)10/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 3-hydroxy-4-propylpyrrole-2,5-dione?
3-hydroxy-4-propylpyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propylpyrrole-2,5-dione is sourced from PubChem (CID 154109819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).