(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one

C26H23NO2 — CID 155815383

IUPAC(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H23NO2/c1-29-24-14-12-21(13-15-24)18-23-19-25(22-10-6-3-7-11-22)27(26(23)28)17-16-20-8-4-2-5-9-20/h2-15,18-19H,16-17H2,1H3/b23-18+
InChIKeyHOBMJNGTAHULRM-PTGBLXJZSA-N
MW381.48 g/mol
LogP5.20
Rot. Bonds6

About (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one

(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one (PubChem CID 155815383) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one
PubChem CID155815383
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H23NO2/c1-29-24-14-12-21(13-15-24)18-23-19-25(22-10-6-3-7-11-22)27(26(23)28)17-16-20-8-4-2-5-9-20/h2-15,18-19H,16-17H2,1H3/b23-18+
InChIKeyHOBMJNGTAHULRM-PTGBLXJZSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one (CID 155815383) is (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one.
What is the SMILES notation for (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The canonical SMILES for (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one is COc1ccc(/C=C2\C=C(c3ccccc3)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one?
The InChIKey is HOBMJNGTAHULRM-PTGBLXJZSA-N. The full InChI is InChI=1S/C26H23NO2/c1-29-24-14-12-21(13-15-24)18-23-19-25(22-10-6-3-7-11-22)27(26(23)28)17-16-20-8-4-2-5-9-20/h2-15,18-19H,16-17H2,1H3/b23-18+.
What are the key properties of (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one?
(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one has a molecular weight of 381.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one is sourced from PubChem (CID 155815383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).