ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate

C11H16N2O2 — CID 134632289

IUPACethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(C)cc1NN
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-5-4-8(2)6-10(9)13-12/h4-6,13H,3,7,12H2,1-2H3
InChIKeyCOZYVNIQZRAIAU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.39
Rot. Bonds4

About ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate

ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate (PubChem CID 134632289) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
PubChem CID134632289
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(C)cc1NN
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-5-4-8(2)6-10(9)13-12/h4-6,13H,3,7,12H2,1-2H3
InChIKeyCOZYVNIQZRAIAU-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2-hydrazinyl-4-methylphenyl)methanol
CID 118803713
methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate
CID 130960952
ethyl 2-[2-(3-chloropropyl)-5-methylphenyl]acetate
CID 134631766
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(2-cyano-3-hydrazinylphenyl)acetate
CID 134654607
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
ethyl 2-[2-[(E)-2-ethenylbut-2-enoxy]-4-methylphenyl]acetate
CID 156569785
ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 2749627
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
ethyl 3-[4-hydrazinyl-3-(methylideneamino)phenyl]-3-oxopropanoate
CID 71003521
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate (CID 134632289) is ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate is CCOC(=O)Cc1ccc(C)cc1NN.
What is the InChIKey of ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate?
The InChIKey is COZYVNIQZRAIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-5-4-8(2)6-10(9)13-12/h4-6,13H,3,7,12H2,1-2H3.
What are the key properties of ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate?
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate has a molecular weight of 208.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate is sourced from PubChem (CID 134632289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).