methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate

C18H18N2O2 — CID 5356889

IUPACmethyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
SMILESCOC(=O)/C=C/C(=NN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(16-11-7-4-8-12-16)19-17(13-14-18(21)22-2)15-9-5-3-6-10-15/h3-14H,1-2H3/b14-13+,19-17?
InChIKeyGSWMZXFQQGLGOM-PPBMAOQHSA-N
MW294.35 g/mol
LogP3.26
Rot. Bonds5

About methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate

methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate (PubChem CID 5356889) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
PubChem CID5356889
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namemethyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
SMILESCOC(=O)/C=C/C(=NN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(16-11-7-4-8-12-16)19-17(13-14-18(21)22-2)15-9-5-3-6-10-15/h3-14H,1-2H3/b14-13+,19-17?
InChIKeyGSWMZXFQQGLGOM-PPBMAOQHSA-N
XLogP3.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
methyl (E)-4,5-dioxo-5-phenylpent-2-enoate
CID 166068266
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
methyl 3-phenoxyprop-2-enoate
CID 74041310
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
[4-[C-methyl-N-(N-methylanilino)carbonimidoyl]phenyl] acetate
CID 139783652
methyl (E)-3-phenylbut-2-enoate
CID 5354835

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate?
The IUPAC name of methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate (CID 5356889) is methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate.
What is the SMILES notation for methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate?
The canonical SMILES for methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate is COC(=O)/C=C/C(=NN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate?
The InChIKey is GSWMZXFQQGLGOM-PPBMAOQHSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(16-11-7-4-8-12-16)19-17(13-14-18(21)22-2)15-9-5-3-6-10-15/h3-14H,1-2H3/b14-13+,19-17?.
What are the key properties of methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate?
methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate is sourced from PubChem (CID 5356889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).