ethyl 2-ethylimino-2-phenylacetate

C12H15NO2 — CID 125476677

IUPACethyl 2-ethylimino-2-phenylacetate
SMILESCC/N=C(\C(=O)OCC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-13-11(12(14)15-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b13-11-
InChIKeyYCWJWIGWPHWKRT-QBFSEMIESA-N
MW205.26 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-ethylimino-2-phenylacetate

ethyl 2-ethylimino-2-phenylacetate (PubChem CID 125476677) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-ethylimino-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-ethylimino-2-phenylacetate
PubChem CID125476677
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-ethylimino-2-phenylacetate
SMILESCC/N=C(\C(=O)OCC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-13-11(12(14)15-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b13-11-
InChIKeyYCWJWIGWPHWKRT-QBFSEMIESA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, phenyl-, 2-(dimethylamino)ethyl ester
CID 37566
5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
methyl (2Z)-2-hydroxyimino-2-[3-[(Z)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]phenyl]acetate
CID 44446348
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861
ethyl (2E)-2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 101885738
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
Methyl 2-diazo-2-(3-fluorophenyl)acetate
CID 137292069
Ethyl 2-diazo-2-(4-fluorophenyl)acetate
CID 137300605
5(2H)-Oxazolone, 4-(phenylmethyl)-
CID 562347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylimino-2-phenylacetate?
The IUPAC name of ethyl 2-ethylimino-2-phenylacetate (CID 125476677) is ethyl 2-ethylimino-2-phenylacetate.
What is the SMILES notation for ethyl 2-ethylimino-2-phenylacetate?
The canonical SMILES for ethyl 2-ethylimino-2-phenylacetate is CC/N=C(\C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-ethylimino-2-phenylacetate?
The InChIKey is YCWJWIGWPHWKRT-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-13-11(12(14)15-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b13-11-.
What are the key properties of ethyl 2-ethylimino-2-phenylacetate?
ethyl 2-ethylimino-2-phenylacetate has a molecular weight of 205.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylimino-2-phenylacetate is sourced from PubChem (CID 125476677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).