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

C7H16BrNO — CID 134986713

IUPAC[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
SMILESCCO/C=C\[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-5-9-7-6-8(2,3)4;/h6-7H,5H2,1-4H3;1H/q+1;/p-1/b7-6-;
InChIKeyLKDZLZGUTZNPBG-NAFXZHHSSA-M
MW210.11 g/mol
LogP-1.80
Rot. Bonds3

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

[(Z)-2-ethoxyethenyl]-trimethylazanium bromide (PubChem CID 134986713) has the molecular formula C7H16BrNO and a molecular weight of 210.11 g/mol. Its IUPAC name is [(Z)-2-ethoxyethenyl]-trimethylazanium bromide.

Molecular Properties

Compound Name[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
PubChem CID134986713
Molecular FormulaC7H16BrNO
Molecular Weight210.11 g/mol
Exact Mass209.04
IUPAC Name[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
SMILESCCO/C=C\[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-5-9-7-6-8(2,3)4;/h6-7H,5H2,1-4H3;1H/q+1;/p-1/b7-6-;
InChIKeyLKDZLZGUTZNPBG-NAFXZHHSSA-M
XLogP-1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-1.80
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 [(Z)-2-ethoxyethenyl]-trimethylazanium bromide?
The IUPAC name of [(Z)-2-ethoxyethenyl]-trimethylazanium bromide (CID 134986713) is [(Z)-2-ethoxyethenyl]-trimethylazanium bromide.
What is the SMILES notation for [(Z)-2-ethoxyethenyl]-trimethylazanium bromide?
The canonical SMILES for [(Z)-2-ethoxyethenyl]-trimethylazanium bromide is CCO/C=C\[N+](C)(C)C.[Br-].
What is the InChIKey of [(Z)-2-ethoxyethenyl]-trimethylazanium bromide?
The InChIKey is LKDZLZGUTZNPBG-NAFXZHHSSA-M. The full InChI is InChI=1S/C7H16NO.BrH/c1-5-9-7-6-8(2,3)4;/h6-7H,5H2,1-4H3;1H/q+1;/p-1/b7-6-;.
What are the key properties of [(Z)-2-ethoxyethenyl]-trimethylazanium bromide?
[(Z)-2-ethoxyethenyl]-trimethylazanium bromide has a molecular weight of 210.11 g/mol, XLogP of -1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethoxyethenyl]-trimethylazanium bromide is sourced from PubChem (CID 134986713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).