3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one

C21H21NO3 — CID 2864532

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H21NO3/c1-21(2,3)19(24)16-17(14-10-6-4-7-11-14)22(20(25)18(16)23)15-12-8-5-9-13-15/h4-13,17,23H,1-3H3
InChIKeyYILAAQFYBWFNFI-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.20
Rot. Bonds3

About 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one (PubChem CID 2864532) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
PubChem CID2864532
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H21NO3/c1-21(2,3)19(24)16-17(14-10-6-4-7-11-14)22(20(25)18(16)23)15-12-8-5-9-13-15/h4-13,17,23H,1-3H3
InChIKeyYILAAQFYBWFNFI-UHFFFAOYSA-N
XLogP4.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one (CID 2864532) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The InChIKey is YILAAQFYBWFNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-21(2,3)19(24)16-17(14-10-6-4-7-11-14)22(20(25)18(16)23)15-12-8-5-9-13-15/h4-13,17,23H,1-3H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one has a molecular weight of 335.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2864532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).