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

C21H23NO2 — CID 132510409

IUPAC1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
SMILESCCOc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c1-2-24-20-13-9-17(10-14-20)8-11-19-12-15-21(23)22(19)16-18-6-4-3-5-7-18/h3-11,13-14,19H,2,12,15-16H2,1H3/b11-8+
InChIKeyLNZMDLDCSAVQEW-DHZHZOJOSA-N
MW321.42 g/mol
LogP4.29
Rot. Bonds6

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

1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one (PubChem CID 132510409) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
PubChem CID132510409
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
SMILESCCOc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c1-2-24-20-13-9-17(10-14-20)8-11-19-12-15-21(23)22(19)16-18-6-4-3-5-7-18/h3-11,13-14,19H,2,12,15-16H2,1H3/b11-8+
InChIKeyLNZMDLDCSAVQEW-DHZHZOJOSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-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-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510401
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
(6R)-3-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-(2-phenylethyl)cyclohex-2-en-1-one
CID 1377168
diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
ethyl 7-[2-oxo-5-[(E)-3-oxo-4-phenylbut-1-enyl]pyrrolidin-1-yl]heptanoate
CID 20801282
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
ethyl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 141126476

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one (CID 132510409) is 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one is CCOc1ccc(/C=C/C2CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one?
The InChIKey is LNZMDLDCSAVQEW-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-24-20-13-9-17(10-14-20)8-11-19-12-15-21(23)22(19)16-18-6-4-3-5-7-18/h3-11,13-14,19H,2,12,15-16H2,1H3/b11-8+.
What are the key properties of 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one?
1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 132510409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).