5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one

C18H15NO3 — CID 90691677

IUPAC5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one
SMILESO=C(CC1(O)N=C(c2ccccc2)CC1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c20-16(14-9-5-2-6-10-14)12-18(22)17(21)11-15(19-18)13-7-3-1-4-8-13/h1-10,22H,11-12H2
InChIKeyLFLKHSHKAQWJHY-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.41
Rot. Bonds4

About 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one

5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one (PubChem CID 90691677) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one.

Molecular Properties

Compound Name5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one
PubChem CID90691677
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one
SMILESO=C(CC1(O)N=C(c2ccccc2)CC1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c20-16(14-9-5-2-6-10-14)12-18(22)17(21)11-15(19-18)13-7-3-1-4-8-13/h1-10,22H,11-12H2
InChIKeyLFLKHSHKAQWJHY-UHFFFAOYSA-N
XLogP2.41
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one?
The IUPAC name of 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one (CID 90691677) is 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one.
What is the SMILES notation for 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one?
The canonical SMILES for 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one is O=C(CC1(O)N=C(c2ccccc2)CC1=O)c1ccccc1.
What is the InChIKey of 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one?
The InChIKey is LFLKHSHKAQWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-16(14-9-5-2-6-10-14)12-18(22)17(21)11-15(19-18)13-7-3-1-4-8-13/h1-10,22H,11-12H2.
What are the key properties of 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one?
5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one has a molecular weight of 293.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-phenacyl-2-phenyl-3H-pyrrol-4-one is sourced from PubChem (CID 90691677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).