[(Z)-2-methoxyethenyl]-trimethylazanium bromide

C6H14BrNO — CID 134986601

IUPAC[(Z)-2-methoxyethenyl]-trimethylazanium bromide
SMILESCO/C=C\[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-7(2,3)5-6-8-4;/h5-6H,1-4H3;1H/q+1;/p-1/b6-5-;
InChIKeyGASUNFGTICIJCM-YSMBQZINSA-M
MW196.09 g/mol
LogP-2.19
Rot. Bonds2

About [(Z)-2-methoxyethenyl]-trimethylazanium bromide

[(Z)-2-methoxyethenyl]-trimethylazanium bromide (PubChem CID 134986601) has the molecular formula C6H14BrNO and a molecular weight of 196.09 g/mol. Its IUPAC name is [(Z)-2-methoxyethenyl]-trimethylazanium bromide.

Molecular Properties

Compound Name[(Z)-2-methoxyethenyl]-trimethylazanium bromide
PubChem CID134986601
Molecular FormulaC6H14BrNO
Molecular Weight196.09 g/mol
Exact Mass195.03
IUPAC Name[(Z)-2-methoxyethenyl]-trimethylazanium bromide
SMILESCO/C=C\[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-7(2,3)5-6-8-4;/h5-6H,1-4H3;1H/q+1;/p-1/b6-5-;
InChIKeyGASUNFGTICIJCM-YSMBQZINSA-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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Related Compounds

2,3-dehydro-N-methylmorpholine
CID 18704486
4-Methyl-1,4-oxazine
CID 15331497
4-Ethyl-1,4-oxazine
CID 70658841
N-methyl oxazoline
CID 19079310
N-ethyl oxazole
CID 23317920
1-ethoxy-N-ethyl-N-methylethenamine
CID 134987246
1-Methoxyethenyl(trimethyl)azanium bromide
CID 134921319
[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
CID 134986713
3-ethenyl-2H-1,3-oxazole
CID 18430596
3,3-dimethyl-2H-1,3-oxazol-3-ium
CID 18431014
1-ethenoxy-N,N-dimethylethanamine
CID 21863905
3-propan-2-yl-2H-1,3-oxazole
CID 22091757

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxyethenyl]-trimethylazanium bromide?
The IUPAC name of [(Z)-2-methoxyethenyl]-trimethylazanium bromide (CID 134986601) is [(Z)-2-methoxyethenyl]-trimethylazanium bromide.
What is the SMILES notation for [(Z)-2-methoxyethenyl]-trimethylazanium bromide?
The canonical SMILES for [(Z)-2-methoxyethenyl]-trimethylazanium bromide is CO/C=C\[N+](C)(C)C.[Br-].
What is the InChIKey of [(Z)-2-methoxyethenyl]-trimethylazanium bromide?
The InChIKey is GASUNFGTICIJCM-YSMBQZINSA-M. The full InChI is InChI=1S/C6H14NO.BrH/c1-7(2,3)5-6-8-4;/h5-6H,1-4H3;1H/q+1;/p-1/b6-5-;.
What are the key properties of [(Z)-2-methoxyethenyl]-trimethylazanium bromide?
[(Z)-2-methoxyethenyl]-trimethylazanium 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 [(Z)-2-methoxyethenyl]-trimethylazanium bromide is sourced from PubChem (CID 134986601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).