1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)

C11H14N2Ru — CID 87611696

IUPAC1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCC(C)C1=[C-]CC=C1.[Ru+2].[c-]1ncc[nH]1
InChIInChI=1S/C8H11.C3H3N2.Ru/c1-7(2)8-5-3-4-6-8;1-2-5-3-4-1;/h3,5,7H,4H2,1-2H3;1-2H,(H,4,5);/q2*-1;+2
InChIKeyDTEFDEGIEPWPTR-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.54
Rot. Bonds1

About 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)

1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 87611696) has the molecular formula C11H14N2Ru and a molecular weight of 275.32 g/mol. Its IUPAC name is 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Name1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
PubChem CID87611696
Molecular FormulaC11H14N2Ru
Molecular Weight275.32 g/mol
Exact Mass276.02
IUPAC Name1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCC(C)C1=[C-]CC=C1.[Ru+2].[c-]1ncc[nH]1
InChIInChI=1S/C8H11.C3H3N2.Ru/c1-7(2)8-5-3-4-6-8;1-2-5-3-4-1;/h3,5,7H,4H2,1-2H3;1-2H,(H,4,5);/q2*-1;+2
InChIKeyDTEFDEGIEPWPTR-UHFFFAOYSA-N
XLogP2.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
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;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) (CID 87611696) is 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) is CC(C)C1=[C-]CC=C1.[Ru+2].[c-]1ncc[nH]1.
What is the InChIKey of 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is DTEFDEGIEPWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.C3H3N2.Ru/c1-7(2)8-5-3-4-6-8;1-2-5-3-4-1;/h3,5,7H,4H2,1-2H3;1-2H,(H,4,5);/q2*-1;+2.
What are the key properties of 1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
1,2-dihydroimidazol-2-ide;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 275.32 g/mol, XLogP of 2.54, 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;2-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 87611696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).