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

C19H17NO3 — CID 2868907

IUPAC3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(21)16-17(15-10-6-3-7-11-15)20(19(23)18(16)22)12-14-8-4-2-5-9-14/h2-11,17,22H,12H2,1H3
InChIKeyJTNMFQBLADRMKN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.17
Rot. Bonds4

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

3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 2868907) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID2868907
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(21)16-17(15-10-6-3-7-11-15)20(19(23)18(16)22)12-14-8-4-2-5-9-14/h2-11,17,22H,12H2,1H3
InChIKeyJTNMFQBLADRMKN-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 2868907) is 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is JTNMFQBLADRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)16-17(15-10-6-3-7-11-15)20(19(23)18(16)22)12-14-8-4-2-5-9-14/h2-11,17,22H,12H2,1H3.
What are the key properties of 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2868907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).