2-methyl-1,4-diphenyl-2H-pyrrol-5-one

C17H15NO — CID 174901051

IUPAC2-methyl-1,4-diphenyl-2H-pyrrol-5-one
SMILESCC1C=C(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-12-16(14-8-4-2-5-9-14)17(19)18(13)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyDLNHKSADGTVPLO-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-1,4-diphenyl-2H-pyrrol-5-one

2-methyl-1,4-diphenyl-2H-pyrrol-5-one (PubChem CID 174901051) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-1,4-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methyl-1,4-diphenyl-2H-pyrrol-5-one
PubChem CID174901051
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-methyl-1,4-diphenyl-2H-pyrrol-5-one
SMILESCC1C=C(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-12-16(14-8-4-2-5-9-14)17(19)18(13)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyDLNHKSADGTVPLO-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-diphenyl-2H-pyrrol-5-one?
The IUPAC name of 2-methyl-1,4-diphenyl-2H-pyrrol-5-one (CID 174901051) is 2-methyl-1,4-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methyl-1,4-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-methyl-1,4-diphenyl-2H-pyrrol-5-one is CC1C=C(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 2-methyl-1,4-diphenyl-2H-pyrrol-5-one?
The InChIKey is DLNHKSADGTVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-12-16(14-8-4-2-5-9-14)17(19)18(13)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 2-methyl-1,4-diphenyl-2H-pyrrol-5-one?
2-methyl-1,4-diphenyl-2H-pyrrol-5-one has a molecular weight of 249.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 174901051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).