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

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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).