bromozinc(1+);2,3-dihydropyrrol-2-ide

C4H4BrNZn — CID 59345222

IUPACbromozinc(1+);2,3-dihydropyrrol-2-ide
SMILES[C-]1=NC=CC1.[Zn+]Br
InChIInChI=1S/C4H4N.BrH.Zn/c1-2-4-5-3-1;;/h1,3H,2H2;1H;/q-1;;+2/p-1
InChIKeyJTQPPGRUPBUGEN-UHFFFAOYSA-M
MW211.38 g/mol
LogP1.69
Rot. Bonds

About bromozinc(1+);2,3-dihydropyrrol-2-ide

bromozinc(1+);2,3-dihydropyrrol-2-ide (PubChem CID 59345222) has the molecular formula C4H4BrNZn and a molecular weight of 211.38 g/mol. Its IUPAC name is bromozinc(1+);2,3-dihydropyrrol-2-ide.

Molecular Properties

Compound Namebromozinc(1+);2,3-dihydropyrrol-2-ide
PubChem CID59345222
Molecular FormulaC4H4BrNZn
Molecular Weight211.38 g/mol
Exact Mass208.88
IUPAC Namebromozinc(1+);2,3-dihydropyrrol-2-ide
SMILES[C-]1=NC=CC1.[Zn+]Br
InChIInChI=1S/C4H4N.BrH.Zn/c1-2-4-5-3-1;;/h1,3H,2H2;1H;/q-1;;+2/p-1
InChIKeyJTQPPGRUPBUGEN-UHFFFAOYSA-M
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2,3-dihydropyrrol-2-ide?
The IUPAC name of bromozinc(1+);2,3-dihydropyrrol-2-ide (CID 59345222) is bromozinc(1+);2,3-dihydropyrrol-2-ide.
What is the SMILES notation for bromozinc(1+);2,3-dihydropyrrol-2-ide?
The canonical SMILES for bromozinc(1+);2,3-dihydropyrrol-2-ide is [C-]1=NC=CC1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2,3-dihydropyrrol-2-ide?
The InChIKey is JTQPPGRUPBUGEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N.BrH.Zn/c1-2-4-5-3-1;;/h1,3H,2H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2,3-dihydropyrrol-2-ide?
bromozinc(1+);2,3-dihydropyrrol-2-ide has a molecular weight of 211.38 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2,3-dihydropyrrol-2-ide is sourced from PubChem (CID 59345222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).