ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate

C16H16N2O2 — CID 11832396

IUPACethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,2H2,1H3/b18-15+
InChIKeyHOIZAZNCGPJTKP-OBGWFSINSA-N
MW268.32 g/mol
LogP3.07
Rot. Bonds5

About ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate

ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate (PubChem CID 11832396) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate
PubChem CID11832396
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,2H2,1H3/b18-15+
InChIKeyHOIZAZNCGPJTKP-OBGWFSINSA-N
XLogP3.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate (CID 11832396) is ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate is CCOC(=O)/C(=N/Nc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate?
The InChIKey is HOIZAZNCGPJTKP-OBGWFSINSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,2H2,1H3/b18-15+.
What are the key properties of ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate?
ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate has a molecular weight of 268.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-phenyl-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 11832396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).