ethyl 2-(3-cyanoanilino)acetate

C11H12N2O2 — CID 11593660

IUPACethyl 2-(3-cyanoanilino)acetate
SMILESCCOC(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-5-3-4-9(6-10)7-12/h3-6,13H,2,8H2,1H3
InChIKeyQHVWNEPCWNCEJF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-(3-cyanoanilino)acetate

ethyl 2-(3-cyanoanilino)acetate (PubChem CID 11593660) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-(3-cyanoanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyanoanilino)acetate
PubChem CID11593660
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-(3-cyanoanilino)acetate
SMILESCCOC(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-5-3-4-9(6-10)7-12/h3-6,13H,2,8H2,1H3
InChIKeyQHVWNEPCWNCEJF-UHFFFAOYSA-N
XLogP1.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanoanilino)acetate?
The IUPAC name of ethyl 2-(3-cyanoanilino)acetate (CID 11593660) is ethyl 2-(3-cyanoanilino)acetate.
What is the SMILES notation for ethyl 2-(3-cyanoanilino)acetate?
The canonical SMILES for ethyl 2-(3-cyanoanilino)acetate is CCOC(=O)CNc1cccc(C#N)c1.
What is the InChIKey of ethyl 2-(3-cyanoanilino)acetate?
The InChIKey is QHVWNEPCWNCEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-5-3-4-9(6-10)7-12/h3-6,13H,2,8H2,1H3.
What are the key properties of ethyl 2-(3-cyanoanilino)acetate?
ethyl 2-(3-cyanoanilino)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanoanilino)acetate is sourced from PubChem (CID 11593660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).