ethyl 2-(4-methanimidoylphenyl)acetate

C11H13NO2 — CID 86679361

IUPACethyl 2-(4-methanimidoylphenyl)acetate
SMILES[H]/N=C/c1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6,8,12H,2,7H2,1H3/b12-8+
InChIKeyJEEPRYUWYFRDBE-XYOKQWHBSA-N
MW191.23 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-(4-methanimidoylphenyl)acetate

ethyl 2-(4-methanimidoylphenyl)acetate (PubChem CID 86679361) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-(4-methanimidoylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methanimidoylphenyl)acetate
PubChem CID86679361
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 2-(4-methanimidoylphenyl)acetate
SMILES[H]/N=C/c1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6,8,12H,2,7H2,1H3/b12-8+
InChIKeyJEEPRYUWYFRDBE-XYOKQWHBSA-N
XLogP1.79
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
CID 57459210
CID 57459210
ethyl 2-phenylacetate
CID 7590
ethane;ethyl 2-[4-[(E)-hex-3-en-3-yl]phenyl]acetate
CID 170755975
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052
ethyl 2-(4-isocyanophenyl)acetate
CID 20780504
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 2-[4-(diaminomethylideneamino)phenyl]acetate
CID 119087282
4-(2-ethoxy-2-oxoethyl)benzenesulfinate
CID 144684303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methanimidoylphenyl)acetate?
The IUPAC name of ethyl 2-(4-methanimidoylphenyl)acetate (CID 86679361) is ethyl 2-(4-methanimidoylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-methanimidoylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-methanimidoylphenyl)acetate is [H]/N=C/c1ccc(CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-methanimidoylphenyl)acetate?
The InChIKey is JEEPRYUWYFRDBE-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6,8,12H,2,7H2,1H3/b12-8+.
What are the key properties of ethyl 2-(4-methanimidoylphenyl)acetate?
ethyl 2-(4-methanimidoylphenyl)acetate has a molecular weight of 191.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methanimidoylphenyl)acetate is sourced from PubChem (CID 86679361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).