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

C17H15NO4 — CID 646898

IUPAC3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1
InChIInChI=1S/C17H15NO4/c1-11(19)14-15(12-6-3-2-4-7-12)18(17(21)16(14)20)10-13-8-5-9-22-13/h2-9,15,20H,10H2,1H3
InChIKeyQVVJGUNJERIXAQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.76
Rot. Bonds4

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

3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 646898) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID646898
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1
InChIInChI=1S/C17H15NO4/c1-11(19)14-15(12-6-3-2-4-7-12)18(17(21)16(14)20)10-13-8-5-9-22-13/h2-9,15,20H,10H2,1H3
InChIKeyQVVJGUNJERIXAQ-UHFFFAOYSA-N
XLogP2.76
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 646898) is 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is QVVJGUNJERIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)14-15(12-6-3-2-4-7-12)18(17(21)16(14)20)10-13-8-5-9-22-13/h2-9,15,20H,10H2,1H3.
What are the key properties of 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 297.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 646898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).