4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one

C15H15NO3 — CID 54730676

IUPAC4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C(C)=O)=C(O)C1c1ccccc1
InChIInChI=1S/C15H15NO3/c1-3-9-16-13(11-7-5-4-6-8-11)14(18)12(10(2)17)15(16)19/h3-8,13,18H,1,9H2,2H3
InChIKeyIDKGICCWLKKFAZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds4

About 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one

4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 54730676) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID54730676
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C(C)=O)=C(O)C1c1ccccc1
InChIInChI=1S/C15H15NO3/c1-3-9-16-13(11-7-5-4-6-8-11)14(18)12(10(2)17)15(16)19/h3-8,13,18H,1,9H2,2H3
InChIKeyIDKGICCWLKKFAZ-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one 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 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one (CID 54730676) is 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1C(=O)C(C(C)=O)=C(O)C1c1ccccc1.
What is the InChIKey of 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is IDKGICCWLKKFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-9-16-13(11-7-5-4-6-8-11)14(18)12(10(2)17)15(16)19/h3-8,13,18H,1,9H2,2H3.
What are the key properties of 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 257.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-2-phenyl-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 54730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).