1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)

C8H10N2Ru — CID 87610662

IUPAC1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)
SMILES[H]/[C-]=C\C=C\C.[Ru+2].[c-]1ncc[nH]1
InChIInChI=1S/C5H7.C3H3N2.Ru/c1-3-5-4-2;1-2-5-3-4-1;/h1,3-5H,2H3;1-2H,(H,4,5);/q2*-1;+2/b5-4+;;
InChIKeyXIXVQXODOIUBJU-SFKRKKMESA-N
MW235.25 g/mol
LogP1.76
Rot. Bonds1

About 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)

1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+) (PubChem CID 87610662) has the molecular formula C8H10N2Ru and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Name1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)
PubChem CID87610662
Molecular FormulaC8H10N2Ru
Molecular Weight235.25 g/mol
Exact Mass235.99
IUPAC Name1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)
SMILES[H]/[C-]=C\C=C\C.[Ru+2].[c-]1ncc[nH]1
InChIInChI=1S/C5H7.C3H3N2.Ru/c1-3-5-4-2;1-2-5-3-4-1;/h1,3-5H,2H3;1-2H,(H,4,5);/q2*-1;+2/b5-4+;;
InChIKeyXIXVQXODOIUBJU-SFKRKKMESA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)?
The IUPAC name of 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+) (CID 87610662) is 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+).
What is the SMILES notation for 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)?
The canonical SMILES for 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+) is [H]/[C-]=C\C=C\C.[Ru+2].[c-]1ncc[nH]1.
What is the InChIKey of 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)?
The InChIKey is XIXVQXODOIUBJU-SFKRKKMESA-N. The full InChI is InChI=1S/C5H7.C3H3N2.Ru/c1-3-5-4-2;1-2-5-3-4-1;/h1,3-5H,2H3;1-2H,(H,4,5);/q2*-1;+2/b5-4+;;.
What are the key properties of 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)?
1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+) has a molecular weight of 235.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 87610662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).