methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate

C17H16N2O2 — CID 6076546

IUPACmethyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
SMILESCOC(=O)/C=C/C(=N/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)13-12-16(14-8-4-2-5-9-14)19-18-15-10-6-3-7-11-15/h2-13,18H,1H3/b13-12+,19-16-
InChIKeyVRKKUAQKBLSVLY-HZFQEMMZSA-N
MW280.33 g/mol
LogP3.23
Rot. Bonds5

About methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate

methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate (PubChem CID 6076546) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate.

Molecular Properties

Compound Namemethyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
PubChem CID6076546
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
SMILESCOC(=O)/C=C/C(=N/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)13-12-16(14-8-4-2-5-9-14)19-18-15-10-6-3-7-11-15/h2-13,18H,1H3/b13-12+,19-16-
InChIKeyVRKKUAQKBLSVLY-HZFQEMMZSA-N
XLogP3.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
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

CID 154709621
CID 154709621
N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
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methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
CID 5356889
methyl (E)-4,5-dioxo-5-phenylpent-2-enoate
CID 166068266
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
CID 2750014
dimethyl (Z,4E)-3-hydroxy-4-(phenylhydrazinylidene)pent-2-enedioate
CID 171377139
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
N'-anilino-2-oxopropanimidamide
CID 6340113
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
dimethyl 4-(anilinomethylidene)pent-2-enedioate
CID 3660146
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108

Frequently Asked Questions

What is the IUPAC name of methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate?
The IUPAC name of methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate (CID 6076546) is methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate.
What is the SMILES notation for methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate?
The canonical SMILES for methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate is COC(=O)/C=C/C(=N/Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate?
The InChIKey is VRKKUAQKBLSVLY-HZFQEMMZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)13-12-16(14-8-4-2-5-9-14)19-18-15-10-6-3-7-11-15/h2-13,18H,1H3/b13-12+,19-16-.
What are the key properties of methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate?
methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate has a molecular weight of 280.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate is sourced from PubChem (CID 6076546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).