ethyl 2-(benzylidenehydrazinylidene)acetate

C11H12N2O2 — CID 71441090

IUPACethyl 2-(benzylidenehydrazinylidene)acetate
SMILESCCOC(=O)C=NN=Cc1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-13-12-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyZXUZSPAMPJMYSF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-(benzylidenehydrazinylidene)acetate

ethyl 2-(benzylidenehydrazinylidene)acetate (PubChem CID 71441090) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-(benzylidenehydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(benzylidenehydrazinylidene)acetate
PubChem CID71441090
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-(benzylidenehydrazinylidene)acetate
SMILESCCOC(=O)C=NN=Cc1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-13-12-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyZXUZSPAMPJMYSF-UHFFFAOYSA-N
XLogP1.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
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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Related Compounds

ethyl (Z)-2-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-3-hydroxybut-2-enoate
CID 177422975
ethyl 2-phenyliminoacetate
CID 7095267
4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl 2-phenylmethoxycarbonyliminoacetate
CID 71407437
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 14940603
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylidenehydrazinylidene)acetate?
The IUPAC name of ethyl 2-(benzylidenehydrazinylidene)acetate (CID 71441090) is ethyl 2-(benzylidenehydrazinylidene)acetate.
What is the SMILES notation for ethyl 2-(benzylidenehydrazinylidene)acetate?
The canonical SMILES for ethyl 2-(benzylidenehydrazinylidene)acetate is CCOC(=O)C=NN=Cc1ccccc1.
What is the InChIKey of ethyl 2-(benzylidenehydrazinylidene)acetate?
The InChIKey is ZXUZSPAMPJMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)9-13-12-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(benzylidenehydrazinylidene)acetate?
ethyl 2-(benzylidenehydrazinylidene)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylidenehydrazinylidene)acetate is sourced from PubChem (CID 71441090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).