bromozinc(1+);prop-1-yne

C3H3BrZn — CID 14472683

IUPACbromozinc(1+);prop-1-yne
SMILES[C-]#CC.[Zn+]Br
InChIInChI=1S/C3H3.BrH.Zn/c1-3-2;;/h1H3;1H;/q-1;;+2/p-1
InChIKeyCWPAPPVPZCPHQC-UHFFFAOYSA-M
MW184.35 g/mol
LogP1.44
Rot. Bonds

About bromozinc(1+);prop-1-yne

bromozinc(1+);prop-1-yne (PubChem CID 14472683) has the molecular formula C3H3BrZn and a molecular weight of 184.35 g/mol. Its IUPAC name is bromozinc(1+);prop-1-yne.

Molecular Properties

Compound Namebromozinc(1+);prop-1-yne
PubChem CID14472683
Molecular FormulaC3H3BrZn
Molecular Weight184.35 g/mol
Exact Mass181.87
IUPAC Namebromozinc(1+);prop-1-yne
SMILES[C-]#CC.[Zn+]Br
InChIInChI=1S/C3H3.BrH.Zn/c1-3-2;;/h1H3;1H;/q-1;;+2/p-1
InChIKeyCWPAPPVPZCPHQC-UHFFFAOYSA-M
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);prop-1-yne?
The IUPAC name of bromozinc(1+);prop-1-yne (CID 14472683) is bromozinc(1+);prop-1-yne.
What is the SMILES notation for bromozinc(1+);prop-1-yne?
The canonical SMILES for bromozinc(1+);prop-1-yne is [C-]#CC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);prop-1-yne?
The InChIKey is CWPAPPVPZCPHQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3.BrH.Zn/c1-3-2;;/h1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);prop-1-yne?
bromozinc(1+);prop-1-yne has a molecular weight of 184.35 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);prop-1-yne is sourced from PubChem (CID 14472683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).