bromozinc(1+);N,N-diethylacetamide

C6H12BrNOZn — CID 11010706

IUPACbromozinc(1+);N,N-diethylacetamide
SMILES[CH2-]C(=O)N(CC)CC.[Zn+]Br
InChIInChI=1S/C6H12NO.BrH.Zn/c1-4-7(5-2)6(3)8;;/h3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUPDOPZMIHLYZMS-UHFFFAOYSA-M
MW259.46 g/mol
LogP1.53
Rot. Bonds2

About bromozinc(1+);N,N-diethylacetamide

bromozinc(1+);N,N-diethylacetamide (PubChem CID 11010706) has the molecular formula C6H12BrNOZn and a molecular weight of 259.46 g/mol. Its IUPAC name is bromozinc(1+);N,N-diethylacetamide.

Molecular Properties

Compound Namebromozinc(1+);N,N-diethylacetamide
PubChem CID11010706
Molecular FormulaC6H12BrNOZn
Molecular Weight259.46 g/mol
Exact Mass256.94
IUPAC Namebromozinc(1+);N,N-diethylacetamide
SMILES[CH2-]C(=O)N(CC)CC.[Zn+]Br
InChIInChI=1S/C6H12NO.BrH.Zn/c1-4-7(5-2)6(3)8;;/h3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUPDOPZMIHLYZMS-UHFFFAOYSA-M
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 51.53
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+);N,N-diethylacetamide?
The IUPAC name of bromozinc(1+);N,N-diethylacetamide (CID 11010706) is bromozinc(1+);N,N-diethylacetamide.
What is the SMILES notation for bromozinc(1+);N,N-diethylacetamide?
The canonical SMILES for bromozinc(1+);N,N-diethylacetamide is [CH2-]C(=O)N(CC)CC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);N,N-diethylacetamide?
The InChIKey is UPDOPZMIHLYZMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12NO.BrH.Zn/c1-4-7(5-2)6(3)8;;/h3-5H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);N,N-diethylacetamide?
bromozinc(1+);N,N-diethylacetamide has a molecular weight of 259.46 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);N,N-diethylacetamide is sourced from PubChem (CID 11010706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).