3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one

C19H17NO3 — CID 3798520

IUPAC3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-12-8-10-15(11-9-12)20-17(14-6-4-3-5-7-14)16(13(2)21)18(22)19(20)23/h3-11,17,22H,1-2H3
InChIKeyUOYHSLPKHFHISU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.48
Rot. Bonds3

About 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one

3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 3798520) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID3798520
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-12-8-10-15(11-9-12)20-17(14-6-4-3-5-7-14)16(13(2)21)18(22)19(20)23/h3-11,17,22H,1-2H3
InChIKeyUOYHSLPKHFHISU-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one (CID 3798520) is 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is UOYHSLPKHFHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-8-10-15(11-9-12)20-17(14-6-4-3-5-7-14)16(13(2)21)18(22)19(20)23/h3-11,17,22H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 3798520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).