ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate

C11H13N3O2 — CID 134654607

IUPACethyl 2-(2-cyano-3-hydrazinylphenyl)acetate
SMILESCCOC(=O)Cc1cccc(NN)c1C#N
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)6-8-4-3-5-10(14-13)9(8)7-12/h3-5,14H,2,6,13H2,1H3
InChIKeyNGLMXTCOQJYDPY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.95
Rot. Bonds4

About ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate

ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate (PubChem CID 134654607) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-3-hydrazinylphenyl)acetate
PubChem CID134654607
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-(2-cyano-3-hydrazinylphenyl)acetate
SMILESCCOC(=O)Cc1cccc(NN)c1C#N
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)6-8-4-3-5-10(14-13)9(8)7-12/h3-5,14H,2,6,13H2,1H3
InChIKeyNGLMXTCOQJYDPY-UHFFFAOYSA-N
XLogP0.95
TPSA88.14 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyano-3-hydrazinylbenzoate
CID 134642108
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
ethyl 2-[2-cyano-4-(hydroxymethyl)-3-methylphenyl]acetate
CID 134632197
ethyl 2-(3-cyano-2-fluorophenyl)acetate
CID 134652102
methyl 2-cyano-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134649646
ethyl 2-(3-cyano-2-hydroxy-4-methylphenyl)acetate
CID 134632991
ethyl 2-(2-cyano-3-hydroxy-4-iodophenyl)acetate
CID 134655360
ethyl 2-[4-(aminomethyl)-2-cyano-3-sulfanylphenyl]acetate
CID 134652272
ethyl 2-(2-chloro-3-cyano-4-ethylphenyl)acetate
CID 134615165
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
methyl 3-[2-cyano-6-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 134653429
ethyl 2-[2-cyano-4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]acetate
CID 134655342

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate?
The IUPAC name of ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate (CID 134654607) is ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate is CCOC(=O)Cc1cccc(NN)c1C#N.
What is the InChIKey of ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate?
The InChIKey is NGLMXTCOQJYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)6-8-4-3-5-10(14-13)9(8)7-12/h3-5,14H,2,6,13H2,1H3.
What are the key properties of ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate?
ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate has a molecular weight of 219.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate is sourced from PubChem (CID 134654607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).