3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one

C15H14FNO3 — CID 2889202

IUPAC3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-3-8-17-13(10-6-4-5-7-11(10)16)12(9(2)18)14(19)15(17)20/h3-7,13,19H,1,8H2,2H3
InChIKeyXBMLXPJLAWOMMW-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.30
Rot. Bonds4

About 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one

3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 2889202) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID2889202
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-3-8-17-13(10-6-4-5-7-11(10)16)12(9(2)18)14(19)15(17)20/h3-7,13,19H,1,8H2,2H3
InChIKeyXBMLXPJLAWOMMW-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 2891204
CID 2891204
CID 4149556
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CID 544948
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CID 2868300
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CID 2868356
CID 2868356
CID 610237
CID 610237
CID 648150
CID 648150
CID 650972
CID 650972
CID 664969
CID 664969
CID 665123
CID 665123
CID 54730676
CID 54730676
CID 54733182
CID 54733182

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one (CID 2889202) is 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1F.
What is the InChIKey of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is XBMLXPJLAWOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-8-17-13(10-6-4-5-7-11(10)16)12(9(2)18)14(19)15(17)20/h3-7,13,19H,1,8H2,2H3.
What are the key properties of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 275.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 2889202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).