1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one

C20H19NO — CID 135000161

IUPAC1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
SMILESC=C(C1=C(C)CN(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C20H19NO/c1-15-13-21(14-17-9-5-3-6-10-17)20(22)19(15)16(2)18-11-7-4-8-12-18/h3-12H,2,13-14H2,1H3
InChIKeyPKPUCPHCQICJJT-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.06
Rot. Bonds4

About 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one

1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one (PubChem CID 135000161) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
PubChem CID135000161
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
SMILESC=C(C1=C(C)CN(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C20H19NO/c1-15-13-21(14-17-9-5-3-6-10-17)20(22)19(15)16(2)18-11-7-4-8-12-18/h3-12H,2,13-14H2,1H3
InChIKeyPKPUCPHCQICJJT-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 155936663
(3E)-1-benzyl-3-[hydroxy-(3-methylphenyl)methylidene]pyrrolidine-2,4-dione
CID 177424899
1-benzyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 57484784
1-benzyl-3,4-dichloro-2H-pyrrol-5-one
CID 22345347
(4Z)-2-benzyl-4-but-3-en-2-ylidene-3H-isoquinolin-1-one
CID 101045884
3-[(1-benzyl-3-methyl-2,4-dioxopyrrolidin-3-yl)methyl]benzoic acid
CID 68547247
(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one
CID 132576824
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
2-benzyl-5-chloro-7-methyl-3H-isoindol-1-one;ethane
CID 90733514
5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
CID 132522925
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222628

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one (CID 135000161) is 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one is C=C(C1=C(C)CN(Cc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one?
The InChIKey is PKPUCPHCQICJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-13-21(14-17-9-5-3-6-10-17)20(22)19(15)16(2)18-11-7-4-8-12-18/h3-12H,2,13-14H2,1H3.
What are the key properties of 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one?
1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one has a molecular weight of 289.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 135000161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).