but-1-yne;ruthenium;hydrochloride

C4H7ClRu — CID 160987878

IUPACbut-1-yne;ruthenium;hydrochloride
SMILESC#CCC.Cl.[Ru]
InChIInChI=1S/C4H6.ClH.Ru/c1-3-4-2;;/h1H,4H2,2H3;1H;
InChIKeySPRHKNKHOIUSQP-UHFFFAOYSA-N
MW191.62 g/mol
LogP1.45
Rot. Bonds

About but-1-yne;ruthenium;hydrochloride

but-1-yne;ruthenium;hydrochloride (PubChem CID 160987878) has the molecular formula C4H7ClRu and a molecular weight of 191.62 g/mol. Its IUPAC name is but-1-yne;ruthenium;hydrochloride.

Molecular Properties

Compound Namebut-1-yne;ruthenium;hydrochloride
PubChem CID160987878
Molecular FormulaC4H7ClRu
Molecular Weight191.62 g/mol
Exact Mass191.93
IUPAC Namebut-1-yne;ruthenium;hydrochloride
SMILESC#CCC.Cl.[Ru]
InChIInChI=1S/C4H6.ClH.Ru/c1-3-4-2;;/h1H,4H2,2H3;1H;
InChIKeySPRHKNKHOIUSQP-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-yne;ruthenium;hydrochloride?
The IUPAC name of but-1-yne;ruthenium;hydrochloride (CID 160987878) is but-1-yne;ruthenium;hydrochloride.
What is the SMILES notation for but-1-yne;ruthenium;hydrochloride?
The canonical SMILES for but-1-yne;ruthenium;hydrochloride is C#CCC.Cl.[Ru].
What is the InChIKey of but-1-yne;ruthenium;hydrochloride?
The InChIKey is SPRHKNKHOIUSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.ClH.Ru/c1-3-4-2;;/h1H,4H2,2H3;1H;.
What are the key properties of but-1-yne;ruthenium;hydrochloride?
but-1-yne;ruthenium;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 1.45, 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;hydrochloride is sourced from PubChem (CID 160987878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).