ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate

C11H13N3O2 — CID 142279990

IUPACethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate
SMILES[H]/N=C(C(=O)OCC)/C(=N\N)c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)9(12)10(14-13)8-6-4-3-5-7-8/h3-7,12H,2,13H2,1H3/b12-9-,14-10-
InChIKeyZHJPHEXIXSKBHU-DCKTUCEMSA-N
MW219.24 g/mol
LogP0.93
Rot. Bonds4

About ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate

ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate (PubChem CID 142279990) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate
PubChem CID142279990
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate
SMILES[H]/N=C(C(=O)OCC)/C(=N\N)c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)9(12)10(14-13)8-6-4-3-5-7-8/h3-7,12H,2,13H2,1H3/b12-9-,14-10-
InChIKeyZHJPHEXIXSKBHU-DCKTUCEMSA-N
XLogP0.93
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid
CID 142280140
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl 3-(N-benzylanilino)-2-imino-3-oxopropanoate
CID 122227950
ethyl 3-hydroxy-2-methanimidoyl-3-phenylprop-2-enoate
CID 136776858
ethyl (Z)-2-methyl-3-phenyl-3-sulfanylprop-2-enoate
CID 131879018
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
benzenecarboximidamide;propanoic acid
CID 159833627
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate?
The IUPAC name of ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate (CID 142279990) is ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate.
What is the SMILES notation for ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate?
The canonical SMILES for ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate is [H]/N=C(C(=O)OCC)/C(=N\N)c1ccccc1.
What is the InChIKey of ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate?
The InChIKey is ZHJPHEXIXSKBHU-DCKTUCEMSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)9(12)10(14-13)8-6-4-3-5-7-8/h3-7,12H,2,13H2,1H3/b12-9-,14-10-.
What are the key properties of ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate?
ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate has a molecular weight of 219.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate is sourced from PubChem (CID 142279990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).