(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one

C20H18N2O3 — CID 135802020

IUPAC(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
SMILESCOc1ccc(/C=C2/NC(=O)C(/C=N/Cc3ccccc3)=C2O)cc1
InChIInChI=1S/C20H18N2O3/c1-25-16-9-7-14(8-10-16)11-18-19(23)17(20(24)22-18)13-21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,22,24)/b18-11+,21-13+
InChIKeyVIDAMHVTJOFDBP-JJYRJTHFSA-N
MW334.38 g/mol
LogP3.25
Rot. Bonds5

About (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one

(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one (PubChem CID 135802020) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one.

Molecular Properties

Compound Name(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
PubChem CID135802020
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
SMILESCOc1ccc(/C=C2/NC(=O)C(/C=N/Cc3ccccc3)=C2O)cc1
InChIInChI=1S/C20H18N2O3/c1-25-16-9-7-14(8-10-16)11-18-19(23)17(20(24)22-18)13-21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,22,24)/b18-11+,21-13+
InChIKeyVIDAMHVTJOFDBP-JJYRJTHFSA-N
XLogP3.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 54704540
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
CID 44581101
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
2-[[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazolidin-2-ylidene]amino]benzoic acid
CID 136680364
2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176997872
methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
CID 3480313
3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
CID 67614037
methyl (5Z)-5-benzylidene-2-benzylimino-4-methoxypyrrole-3-carboxylate
CID 135746766
methyl (5E)-5-benzylidene-4-methoxy-2-oxopyrrole-3-carboxylate
CID 12619210
3-amino-4-[(4-methoxyphenyl)methyliminomethyl]-1-pyridin-3-yl-2H-pyrrol-5-one
CID 168878874

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The IUPAC name of (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one (CID 135802020) is (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one.
What is the SMILES notation for (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The canonical SMILES for (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one is COc1ccc(/C=C2/NC(=O)C(/C=N/Cc3ccccc3)=C2O)cc1.
What is the InChIKey of (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The InChIKey is VIDAMHVTJOFDBP-JJYRJTHFSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-16-9-7-14(8-10-16)11-18-19(23)17(20(24)22-18)13-21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,22,24)/b18-11+,21-13+.
What are the key properties of (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one is sourced from PubChem (CID 135802020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).