but-1-yne;ruthenium(1+)

C4H5Ru — CID 58887486

IUPACbut-1-yne;ruthenium(1+)
SMILES[C-]#CCC.[Ru+]
InChIInChI=1S/C4H5.Ru/c1-3-4-2;/h3H2,1H3;/q-1;+1
InChIKeyCNEUSFUHDOYDDE-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.98
Rot. Bonds

About but-1-yne;ruthenium(1+)

but-1-yne;ruthenium(1+) (PubChem CID 58887486) has the molecular formula C4H5Ru and a molecular weight of 154.15 g/mol. Its IUPAC name is but-1-yne;ruthenium(1+).

Molecular Properties

Compound Namebut-1-yne;ruthenium(1+)
PubChem CID58887486
Molecular FormulaC4H5Ru
Molecular Weight154.15 g/mol
Exact Mass154.94
IUPAC Namebut-1-yne;ruthenium(1+)
SMILES[C-]#CCC.[Ru+]
InChIInChI=1S/C4H5.Ru/c1-3-4-2;/h3H2,1H3;/q-1;+1
InChIKeyCNEUSFUHDOYDDE-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-yne;ruthenium(1+)?
The IUPAC name of but-1-yne;ruthenium(1+) (CID 58887486) is but-1-yne;ruthenium(1+).
What is the SMILES notation for but-1-yne;ruthenium(1+)?
The canonical SMILES for but-1-yne;ruthenium(1+) is [C-]#CCC.[Ru+].
What is the InChIKey of but-1-yne;ruthenium(1+)?
The InChIKey is CNEUSFUHDOYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5.Ru/c1-3-4-2;/h3H2,1H3;/q-1;+1.
What are the key properties of but-1-yne;ruthenium(1+)?
but-1-yne;ruthenium(1+) has a molecular weight of 154.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;ruthenium(1+) is sourced from PubChem (CID 58887486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).