1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one

C20H21NO — CID 132510405

IUPAC1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one
SMILESCc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO/c1-16-7-9-17(10-8-16)11-12-19-13-14-20(22)21(19)15-18-5-3-2-4-6-18/h2-12,19H,13-15H2,1H3/b12-11+
InChIKeyJOFDBUXOPKVJEE-VAWYXSNFSA-N
MW291.39 g/mol
LogP4.20
Rot. Bonds4

About 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one

1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one (PubChem CID 132510405) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one
PubChem CID132510405
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one
SMILESCc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO/c1-16-7-9-17(10-8-16)11-12-19-13-14-20(22)21(19)15-18-5-3-2-4-6-18/h2-12,19H,13-15H2,1H3/b12-11+
InChIKeyJOFDBUXOPKVJEE-VAWYXSNFSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
CID 132510409
1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510401
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one
CID 134944208
diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one (CID 132510405) is 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one is Cc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one?
The InChIKey is JOFDBUXOPKVJEE-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21NO/c1-16-7-9-17(10-8-16)11-12-19-13-14-20(22)21(19)15-18-5-3-2-4-6-18/h2-12,19H,13-15H2,1H3/b12-11+.
What are the key properties of 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one?
1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 132510405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).