ethyl 2-(4-ethenylanilino)acetate

C12H15NO2 — CID 162402173

IUPACethyl 2-(4-ethenylanilino)acetate
SMILESC=Cc1ccc(NCC(=O)OCC)cc1
InChIInChI=1S/C12H15NO2/c1-3-10-5-7-11(8-6-10)13-9-12(14)15-4-2/h3,5-8,13H,1,4,9H2,2H3
InChIKeyRXBGXWKJSNXZMT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-(4-ethenylanilino)acetate

ethyl 2-(4-ethenylanilino)acetate (PubChem CID 162402173) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(4-ethenylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethenylanilino)acetate
PubChem CID162402173
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(4-ethenylanilino)acetate
SMILESC=Cc1ccc(NCC(=O)OCC)cc1
InChIInChI=1S/C12H15NO2/c1-3-10-5-7-11(8-6-10)13-9-12(14)15-4-2/h3,5-8,13H,1,4,9H2,2H3
InChIKeyRXBGXWKJSNXZMT-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethenylanilino)acetate?
The IUPAC name of ethyl 2-(4-ethenylanilino)acetate (CID 162402173) is ethyl 2-(4-ethenylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-ethenylanilino)acetate?
The canonical SMILES for ethyl 2-(4-ethenylanilino)acetate is C=Cc1ccc(NCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethenylanilino)acetate?
The InChIKey is RXBGXWKJSNXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10-5-7-11(8-6-10)13-9-12(14)15-4-2/h3,5-8,13H,1,4,9H2,2H3.
What are the key properties of ethyl 2-(4-ethenylanilino)acetate?
ethyl 2-(4-ethenylanilino)acetate has a molecular weight of 205.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethenylanilino)acetate is sourced from PubChem (CID 162402173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).