dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide

C21H27Cl2NORu — CID 58307770

IUPACdichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide
SMILESC[OH+]c1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1
InChIInChI=1S/C13H18N.C8H8O.2ClH.Ru/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-7-5-3-4-6-8(7)9-2;;;/h6,8-9H,4-5,7H2,1-3H3;1,3-6H,2H3;2*1H;/q-1;;;;+2/p-1
InChIKeyYZPPJZJZWICYPG-UHFFFAOYSA-M
MW481.43 g/mol
LogP6.01
Rot. Bonds3

About dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide

dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide (PubChem CID 58307770) has the molecular formula C21H27Cl2NORu and a molecular weight of 481.43 g/mol. Its IUPAC name is dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide.

Molecular Properties

Compound Namedichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide
PubChem CID58307770
Molecular FormulaC21H27Cl2NORu
Molecular Weight481.43 g/mol
Exact Mass481.05
IUPAC Namedichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide
SMILESC[OH+]c1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1
InChIInChI=1S/C13H18N.C8H8O.2ClH.Ru/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-7-5-3-4-6-8(7)9-2;;;/h6,8-9H,4-5,7H2,1-3H3;1,3-6H,2H3;2*1H;/q-1;;;;+2/p-1
InChIKeyYZPPJZJZWICYPG-UHFFFAOYSA-M
XLogP6.01
TPSA16.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

dichloro-[(2-methylphenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide
CID 161035623
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(3-oxobutan-2-yloxonio)phenyl]methylidene]ruthenium
CID 153084318
benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 159486981
benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 159934020
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-[(4-methylphenyl)iminomethyl]phenyl]methylidene]ruthenium
CID 58543538
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-cyclopropyloxyphenyl)methylidene]ruthenium
CID 176633481
bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
CID 159920023
dichloro-[[5-fluoro-2-[(2-methyloxonioanilino)methyl]phenyl]methylidene]ruthenium;1-methylsulfanyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 153290807
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(1-methylpiperidin-4-yl)oxyphenyl]methylidene]ruthenium
CID 140615592
bis(benzylidene(dichloro)ruthenium);1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium
CID 160554229
tetrakis(benzylidene(dichloro)ruthenium);bis(3-bromopyridine);cyclopentane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tetrakis(tricyclohexylphosphanium);tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 160899597

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide?
The IUPAC name of dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide (CID 58307770) is dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide.
What is the SMILES notation for dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide?
The canonical SMILES for dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide is C[OH+]c1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.
What is the InChIKey of dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide?
The InChIKey is YZPPJZJZWICYPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N.C8H8O.2ClH.Ru/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-7-5-3-4-6-8(7)9-2;;;/h6,8-9H,4-5,7H2,1-3H3;1,3-6H,2H3;2*1H;/q-1;;;;+2/p-1.
What are the key properties of dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide?
dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide has a molecular weight of 481.43 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2-methyloxoniophenyl)methylidene]ruthenium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide is sourced from PubChem (CID 58307770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).