[bromo(phenyl)methylidene]-dimethylazanium

C9H11BrN+ — CID 576371

IUPAC[bromo(phenyl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(Br)c1ccccc1
InChIInChI=1S/C9H11BrN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyOAQJGXBELPWQRC-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.10
Rot. Bonds1

About [bromo(phenyl)methylidene]-dimethylazanium

[bromo(phenyl)methylidene]-dimethylazanium (PubChem CID 576371) has the molecular formula C9H11BrN+ and a molecular weight of 213.10 g/mol. Its IUPAC name is [bromo(phenyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[bromo(phenyl)methylidene]-dimethylazanium
PubChem CID576371
Molecular FormulaC9H11BrN+
Molecular Weight213.10 g/mol
Exact Mass212.01
IUPAC Name[bromo(phenyl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(Br)c1ccccc1
InChIInChI=1S/C9H11BrN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyOAQJGXBELPWQRC-UHFFFAOYSA-N
XLogP2.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
dimethyl(1-phenylprop-2-enylidene)azanium
CID 153465550
benzoyl bromide
CID 12056
(Z)-4-bromo-3,4-diphenylbut-3-en-2-one
CID 19389265
1-bromoethenylbenzene;sulfane
CID 175924538
[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
CID 10381571
2,3-dibromo-3-phenylprop-2-enenitrile
CID 54113600
[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 101459426
[(E)-1-bromo-2,3-diphenylbut-1-enyl]benzene
CID 177475796
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 12505640
CID 12505640

Frequently Asked Questions

What is the IUPAC name of [bromo(phenyl)methylidene]-dimethylazanium?
The IUPAC name of [bromo(phenyl)methylidene]-dimethylazanium (CID 576371) is [bromo(phenyl)methylidene]-dimethylazanium.
What is the SMILES notation for [bromo(phenyl)methylidene]-dimethylazanium?
The canonical SMILES for [bromo(phenyl)methylidene]-dimethylazanium is C[N+](C)=C(Br)c1ccccc1.
What is the InChIKey of [bromo(phenyl)methylidene]-dimethylazanium?
The InChIKey is OAQJGXBELPWQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1.
What are the key properties of [bromo(phenyl)methylidene]-dimethylazanium?
[bromo(phenyl)methylidene]-dimethylazanium has a molecular weight of 213.10 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(phenyl)methylidene]-dimethylazanium is sourced from PubChem (CID 576371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).