XJJ

piperazin-2-one

Created:	2020-12-17
Last modified:	2021-06-23

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2 entries where XJJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of XJJ

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Chemical Component Summary
Name	piperazin-2-one
Systematic Name (OpenEye OEToolkits)	piperazin-2-one
Formula	C₄ H₈ N₂ O
Molecular Weight	100.119
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NCCNC1
SMILES	CACTVS	3.385	O=C1CNCCN1
SMILES	OpenEye OEToolkits	2.0.7	C1CNC(=O)CN1
Canonical SMILES	CACTVS	3.385	O=C1CNCCN1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CNC(=O)CN1
InChI	InChI	1.03	InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChIKey	InChI	1.03	IWELDVXSEVIIGI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	231360

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