3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

C12H10FNO3 — CID 2890548

IUPAC3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)NC1c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-6(15)9-10(14-12(17)11(9)16)7-2-4-8(13)5-3-7/h2-5,10,16H,1H3,(H,14,17)
InChIKeyUMWWZQVBTIPVTI-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.40
Rot. Bonds2

About 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 2890548) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID2890548
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)NC1c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-6(15)9-10(14-12(17)11(9)16)7-2-4-8(13)5-3-7/h2-5,10,16H,1H3,(H,14,17)
InChIKeyUMWWZQVBTIPVTI-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 2890548) is 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is CC(=O)C1=C(O)C(=O)NC1c1ccc(F)cc1.
What is the InChIKey of 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is UMWWZQVBTIPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-6(15)9-10(14-12(17)11(9)16)7-2-4-8(13)5-3-7/h2-5,10,16H,1H3,(H,14,17).
What are the key properties of 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 235.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 2890548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).