RGO

(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one

Created:	2022-11-30
Last modified:	2022-12-14

Find Related PDB Entry
1 entries where RGO is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of RGO

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
Systematic Name (OpenEye OEToolkits)	(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
Formula	C₁₁ H₉ F₂ N O
Molecular Weight	209.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC1(F)C[CH]2Cc3ccccc3N2C1=O
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)CC3N2C(=O)C(C3)(F)F
Canonical SMILES	CACTVS	3.385	FC1(F)C[C@@H]2Cc3ccccc3N2C1=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F
InChI	InChI	1.06	InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1
InChIKey	InChI	1.06	FBNLACZWDFCRLD-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	166001319

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.