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

C13H13NO3 — CID 134839700

IUPAC1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C(O)=CC1Cc1ccccc1
InChIInChI=1S/C13H13NO3/c1-9(15)14-11(8-12(16)13(14)17)7-10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3
InChIKeyZDHUISKILFCHKY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.43
Rot. Bonds2

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

1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 134839700) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID134839700
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C(O)=CC1Cc1ccccc1
InChIInChI=1S/C13H13NO3/c1-9(15)14-11(8-12(16)13(14)17)7-10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3
InChIKeyZDHUISKILFCHKY-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one (CID 134839700) is 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one is CC(=O)N1C(=O)C(O)=CC1Cc1ccccc1.
What is the InChIKey of 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is ZDHUISKILFCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(15)14-11(8-12(16)13(14)17)7-10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3.
What are the key properties of 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one?
1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 231.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 134839700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).