(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one

C18H18N2O — CID 15947425

IUPAC(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one
SMILESC/C(=N\N(C)c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O/c1-15(19-20(2)17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-14H,1-2H3/b14-13+,19-15+
InChIKeyAQIAXFAPOUIGKR-MNOJGGAQSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds5

About (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one

(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one (PubChem CID 15947425) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one
PubChem CID15947425
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one
SMILESC/C(=N\N(C)c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O/c1-15(19-20(2)17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-14H,1-2H3/b14-13+,19-15+
InChIKeyAQIAXFAPOUIGKR-MNOJGGAQSA-N
XLogP3.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one?
The IUPAC name of (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one (CID 15947425) is (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one?
The canonical SMILES for (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one is C/C(=N\N(C)c1ccccc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one?
The InChIKey is AQIAXFAPOUIGKR-MNOJGGAQSA-N. The full InChI is InChI=1S/C18H18N2O/c1-15(19-20(2)17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-14H,1-2H3/b14-13+,19-15+.
What are the key properties of (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one?
(E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one has a molecular weight of 278.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[methyl(phenyl)hydrazinylidene]-1-phenylpent-1-en-3-one is sourced from PubChem (CID 15947425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).