magnesium;1-phenylethylideneazanide;bromide

C8H8BrMgN — CID 134997472

IUPACmagnesium;1-phenylethylideneazanide;bromide
SMILESCC(=[N-])c1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H8N.BrH.Mg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyABZQGNVXJQZMOB-UHFFFAOYSA-M
MW222.37 g/mol
LogP-1.31
Rot. Bonds1

About magnesium;1-phenylethylideneazanide;bromide

magnesium;1-phenylethylideneazanide;bromide (PubChem CID 134997472) has the molecular formula C8H8BrMgN and a molecular weight of 222.37 g/mol. Its IUPAC name is magnesium;1-phenylethylideneazanide;bromide.

Molecular Properties

Compound Namemagnesium;1-phenylethylideneazanide;bromide
PubChem CID134997472
Molecular FormulaC8H8BrMgN
Molecular Weight222.37 g/mol
Exact Mass220.97
IUPAC Namemagnesium;1-phenylethylideneazanide;bromide
SMILESCC(=[N-])c1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H8N.BrH.Mg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyABZQGNVXJQZMOB-UHFFFAOYSA-M
XLogP-1.31
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylethylideneazanide;bromide?
The IUPAC name of magnesium;1-phenylethylideneazanide;bromide (CID 134997472) is magnesium;1-phenylethylideneazanide;bromide.
What is the SMILES notation for magnesium;1-phenylethylideneazanide;bromide?
The canonical SMILES for magnesium;1-phenylethylideneazanide;bromide is CC(=[N-])c1ccccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-phenylethylideneazanide;bromide?
The InChIKey is ABZQGNVXJQZMOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N.BrH.Mg/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-phenylethylideneazanide;bromide?
magnesium;1-phenylethylideneazanide;bromide has a molecular weight of 222.37 g/mol, XLogP of -1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-phenylethylideneazanide;bromide is sourced from PubChem (CID 134997472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).