A1CFZ

(4aS,8aR)-octahydroquinoxalin-2(1H)-one

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	26
Aromatic Bond Count	0

2D diagram of A1CFZ

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Chemical Component Summary
Name	(4aS,8aR)-octahydroquinoxalin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	(4~{a}~{S},8~{a}~{R})-3,4,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-quinoxalin-2-one
Formula	C₈ H₁₄ N₂ O
Molecular Weight	154.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1NC2CCCCC2NC1
SMILES	CACTVS	3.385	O=C1CN[CH]2CCCC[CH]2N1
SMILES	OpenEye OEToolkits	3.1.0.0	C1CCC2C(C1)NCC(=O)N2
Canonical SMILES	CACTVS	3.385	O=C1CN[C@H]2CCCC[C@H]2N1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C1CC[C@@H]2[C@H](C1)NCC(=O)N2
InChI	InChI	1.06	InChI=1S/C8H14N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1
InChIKey	InChI	1.06	JPYREMMLJKWDCF-NKWVEPMBSA-N

Related Resource References

Resource Name	Reference
PubChem	91119100

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.