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

C23H19NO — CID 71190811

IUPAC1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
SMILESCc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H19NO/c1-17-12-14-20(15-13-17)24-16-21(18-8-4-2-5-9-18)22(23(24)25)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyMSULYUNABSFXQF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.95
Rot. Bonds3

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

1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one (PubChem CID 71190811) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
PubChem CID71190811
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
SMILESCc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H19NO/c1-17-12-14-20(15-13-17)24-16-21(18-8-4-2-5-9-18)22(23(24)25)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyMSULYUNABSFXQF-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(4-fluorophenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]phenyl]methanesulfinic acid
CID 70334302
3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
CID 67834371
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
CID 71190790
[4-[4-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]phenyl]methanesulfinic acid
CID 70335054
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
CID 10319221
4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one
CID 160588547
1-(4-fluorophenyl)-3-(4-methylsulfonylcyclohepta-1,3,6-trien-1-yl)-4-phenyl-2H-pyrrol-5-one
CID 143036309
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
CID 10552238
1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 892975
(4S)-1-methyl-6-(4-methylphenyl)-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 704048

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one (CID 71190811) is 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one is Cc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one?
The InChIKey is MSULYUNABSFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-17-12-14-20(15-13-17)24-16-21(18-8-4-2-5-9-18)22(23(24)25)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one?
1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one has a molecular weight of 325.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 71190811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).