Ethyl cyanoacetate

Ethyl cyanoacetate is a chemical compound registered under number CAS 105-56-6, with the molecular formula C₅H₇NO₂, and a molar mass of 113.11 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is ethyl 2-cyanoacetate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 50.1 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C5H7NO2
Masa molowa	113.11 g/mol
IUPAC	ethyl 2-cyanoacetate
SMILES	CCOC(=O)CC#N
InChIKey	ZIUSEGSNTOUIPT-UHFFFAOYSA-N
logP (XLogP3)	0.4
PSA	50.1 Ų
HBD / HBA	0 / 3
PubChem CID	CID 7764 ↗

ETHYL CYANOACETATE · 105-56-6 · Ethyl 2-cyanoacetate · Ethyl cyanacetate · Cyanoacetic acid ethyl ester · Cyanoacetic ester · Ethyl cyanoethanoate · Acetic acid, cyano-, ethyl ester · Cyanacetate ethyle · USAF KF-25 · Estere cianoacetico · Malonic acid ethyl ester nitrile · Ethylester kyseliny kyanoctove · X9N006U0F8 · NSC-8844

• 📊 PubChem CID 7764 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność