3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C17H14FNO4 — CID 565919

IUPAC3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F
InChIInChI=1S/C17H14FNO4/c1-10(20)14-15(12-6-2-3-7-13(12)18)19(17(22)16(14)21)9-11-5-4-8-23-11/h2-8,15,21H,9H2,1H3
InChIKeyJPINVBILMYHHMZ-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.90
Rot. Bonds4

About 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 565919) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID565919
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F
InChIInChI=1S/C17H14FNO4/c1-10(20)14-15(12-6-2-3-7-13(12)18)19(17(22)16(14)21)9-11-5-4-8-23-11/h2-8,15,21H,9H2,1H3
InChIKeyJPINVBILMYHHMZ-UHFFFAOYSA-N
XLogP2.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 565919) is 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F.
What is the InChIKey of 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is JPINVBILMYHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-10(20)14-15(12-6-2-3-7-13(12)18)19(17(22)16(14)21)9-11-5-4-8-23-11/h2-8,15,21H,9H2,1H3.
What are the key properties of 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 315.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 565919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).