1-methoxyethenyl(trimethyl)azanium bromide

C6H14BrNO — CID 134921319

IUPAC1-methoxyethenyl(trimethyl)azanium bromide
SMILESC=C(OC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-6(8-5)7(2,3)4;/h1H2,2-5H3;1H/q+1;/p-1
InChIKeyOYRHPRUWKXLKOI-UHFFFAOYSA-M
MW196.09 g/mol
LogP-2.19
Rot. Bonds2

About 1-methoxyethenyl(trimethyl)azanium bromide

1-methoxyethenyl(trimethyl)azanium bromide (PubChem CID 134921319) has the molecular formula C6H14BrNO and a molecular weight of 196.09 g/mol. Its IUPAC name is 1-methoxyethenyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name1-methoxyethenyl(trimethyl)azanium bromide
PubChem CID134921319
Molecular FormulaC6H14BrNO
Molecular Weight196.09 g/mol
Exact Mass195.03
IUPAC Name1-methoxyethenyl(trimethyl)azanium bromide
SMILESC=C(OC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-6(8-5)7(2,3)4;/h1H2,2-5H3;1H/q+1;/p-1
InChIKeyOYRHPRUWKXLKOI-UHFFFAOYSA-M
XLogP-2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethenyl(trimethyl)azanium bromide?
The IUPAC name of 1-methoxyethenyl(trimethyl)azanium bromide (CID 134921319) is 1-methoxyethenyl(trimethyl)azanium bromide.
What is the SMILES notation for 1-methoxyethenyl(trimethyl)azanium bromide?
The canonical SMILES for 1-methoxyethenyl(trimethyl)azanium bromide is C=C(OC)[N+](C)(C)C.[Br-].
What is the InChIKey of 1-methoxyethenyl(trimethyl)azanium bromide?
The InChIKey is OYRHPRUWKXLKOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO.BrH/c1-6(8-5)7(2,3)4;/h1H2,2-5H3;1H/q+1;/p-1.
What are the key properties of 1-methoxyethenyl(trimethyl)azanium bromide?
1-methoxyethenyl(trimethyl)azanium bromide has a molecular weight of 196.09 g/mol, XLogP of -2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethenyl(trimethyl)azanium bromide is sourced from PubChem (CID 134921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).