1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)

C7H7N3Ru — CID 87611629

IUPAC1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)
SMILES[Ru+2].[c-]1ccc[nH]1.[c-]1ncc[nH]1
InChIInChI=1S/C4H4N.C3H3N2.Ru/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-3,5H;1-2H,(H,4,5);/q2*-1;+2
InChIKeyJJEKVDYHHOXGJA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.02
Rot. Bonds

About 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)

1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+) (PubChem CID 87611629) has the molecular formula C7H7N3Ru and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+).

Molecular Properties

Compound Name1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)
PubChem CID87611629
Molecular FormulaC7H7N3Ru
Molecular Weight234.22 g/mol
Exact Mass234.97
IUPAC Name1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)
SMILES[Ru+2].[c-]1ccc[nH]1.[c-]1ncc[nH]1
InChIInChI=1S/C4H4N.C3H3N2.Ru/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-3,5H;1-2H,(H,4,5);/q2*-1;+2
InChIKeyJJEKVDYHHOXGJA-UHFFFAOYSA-N
XLogP1.02
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)?
The IUPAC name of 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+) (CID 87611629) is 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+).
What is the SMILES notation for 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)?
The canonical SMILES for 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+) is [Ru+2].[c-]1ccc[nH]1.[c-]1ncc[nH]1.
What is the InChIKey of 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)?
The InChIKey is JJEKVDYHHOXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.C3H3N2.Ru/c1-2-4-5-3-1;1-2-5-3-4-1;/h1-3,5H;1-2H,(H,4,5);/q2*-1;+2.
What are the key properties of 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)?
1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+) has a molecular weight of 234.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+) is sourced from PubChem (CID 87611629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).