ISDA: 8C3B

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: T9U

IUPAC Name: (1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium

Formal Charge: ?

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: C1=CN[CH-]N1

InChI: InChI=1S/C3H5N2/c1-2-5-3-4-1/h1-5H/q-1

InChI Key: XNMJEMBVSMIYJE-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C5 H10 N2 O2 Ru

Molecular weight: 231.215

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 0

Rotatable Bonds: 2

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C5H9N2.H2O.O.Ru/c1-6-3-4-7(2)5-6;;;/h3-5H,1-2H3;1H2;;/q;;;+1/p-1
InChIKey	InChI	1.06	DEXKHQIKGXONQU-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	CN1C=CN(C)C1[Ru](O)=O
SMILES	CACTVS	3.385	CN1C=CN(C)C1[Ru](O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C=CN(C1[Ru](=O)O)C
SMILES	OpenEye OEToolkits	2.0.7	CN1C=CN(C1[Ru](=O)O)C