magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide

C8H8BrMgNO — CID 134890820

IUPACmagnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
SMILES[Br-].[CH2-]/C(=N\O)c1ccccc1.[Mg+2]
InChIInChI=1S/C8H8NO.BrH.Mg/c1-7(9-10)8-5-3-2-4-6-8;;/h2-6,10H,1H2;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyUBCSFFHHGZWRNB-OJYIHNBOSA-M
MW238.37 g/mol
LogP-1.68
Rot. Bonds1

About magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide

magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide (PubChem CID 134890820) has the molecular formula C8H8BrMgNO and a molecular weight of 238.37 g/mol. Its IUPAC name is magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide.

Molecular Properties

Compound Namemagnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
PubChem CID134890820
Molecular FormulaC8H8BrMgNO
Molecular Weight238.37 g/mol
Exact Mass236.96
IUPAC Namemagnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
SMILES[Br-].[CH2-]/C(=N\O)c1ccccc1.[Mg+2]
InChIInChI=1S/C8H8NO.BrH.Mg/c1-7(9-10)8-5-3-2-4-6-8;;/h2-6,10H,1H2;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyUBCSFFHHGZWRNB-OJYIHNBOSA-M
XLogP-1.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
N'-hydroxybenzenecarboximidamide
CID 142861747
sodium N-hydroxybenzenecarboximidate
CID 141386787
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
1-phenylethanone;bis(yttrium)
CID 58212087
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
1,2-diphenylethane-1,2-dione bromide
CID 86754555
(Z)-2,3-diphenylbut-2-enedithial
CID 101175637
(NZ)-N-[(2,6-dichlorophenyl)-phenylmethylidene]hydroxylamine
CID 101190052
copper;2-hydroxyimino-2-phenylethanol
CID 88811267

Frequently Asked Questions

What is the IUPAC name of magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide?
The IUPAC name of magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide (CID 134890820) is magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide.
What is the SMILES notation for magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide?
The canonical SMILES for magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide is [Br-].[CH2-]/C(=N\O)c1ccccc1.[Mg+2].
What is the InChIKey of magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide?
The InChIKey is UBCSFFHHGZWRNB-OJYIHNBOSA-M. The full InChI is InChI=1S/C8H8NO.BrH.Mg/c1-7(9-10)8-5-3-2-4-6-8;;/h2-6,10H,1H2;1H;/q-1;;+2/p-1/b9-7+;;.
What are the key properties of magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide?
magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide has a molecular weight of 238.37 g/mol, XLogP of -1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide is sourced from PubChem (CID 134890820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).