XHD

2-cyanoacetamide

Created:	2020-12-16
Last modified:	2021-06-23

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2 entries where XHD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	0

2D diagram of XHD

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Chemical Component Summary
Name	2-cyanoacetamide
Systematic Name (OpenEye OEToolkits)	2-cyanoethanamide
Formula	C₃ H₄ N₂ O
Molecular Weight	84.077
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#CCC(N)=O
SMILES	CACTVS	3.385	NC(=O)CC#N
SMILES	OpenEye OEToolkits	2.0.7	C(C#N)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)CC#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(C#N)C(=O)N
InChI	InChI	1.03	InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey	InChI	1.03	DGJMPUGMZIKDRO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7898
ChEMBL	CHEMBL2333142
CCDC/CSD	CYANAC03, CYANAC

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.