1-methoxyprop-1-enyl(trimethyl)azanium bromide

C7H16BrNO — CID 173417319

IUPAC1-methoxyprop-1-enyl(trimethyl)azanium bromide
SMILESCC=C(OC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-6-7(9-5)8(2,3)4;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyXOAITCWGUPHHIU-UHFFFAOYSA-M
MW210.11 g/mol
LogP-1.80
Rot. Bonds2

About 1-methoxyprop-1-enyl(trimethyl)azanium bromide

1-methoxyprop-1-enyl(trimethyl)azanium bromide (PubChem CID 173417319) has the molecular formula C7H16BrNO and a molecular weight of 210.11 g/mol. Its IUPAC name is 1-methoxyprop-1-enyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name1-methoxyprop-1-enyl(trimethyl)azanium bromide
PubChem CID173417319
Molecular FormulaC7H16BrNO
Molecular Weight210.11 g/mol
Exact Mass209.04
IUPAC Name1-methoxyprop-1-enyl(trimethyl)azanium bromide
SMILESCC=C(OC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-6-7(9-5)8(2,3)4;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyXOAITCWGUPHHIU-UHFFFAOYSA-M
XLogP-1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 1-methoxyprop-1-enyl(trimethyl)azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxyprop-1-enyl(trimethyl)azanium bromide?
The IUPAC name of 1-methoxyprop-1-enyl(trimethyl)azanium bromide (CID 173417319) is 1-methoxyprop-1-enyl(trimethyl)azanium bromide.
What is the SMILES notation for 1-methoxyprop-1-enyl(trimethyl)azanium bromide?
The canonical SMILES for 1-methoxyprop-1-enyl(trimethyl)azanium bromide is CC=C(OC)[N+](C)(C)C.[Br-].
What is the InChIKey of 1-methoxyprop-1-enyl(trimethyl)azanium bromide?
The InChIKey is XOAITCWGUPHHIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.BrH/c1-6-7(9-5)8(2,3)4;/h6H,1-5H3;1H/q+1;/p-1.
What are the key properties of 1-methoxyprop-1-enyl(trimethyl)azanium bromide?
1-methoxyprop-1-enyl(trimethyl)azanium bromide has a molecular weight of 210.11 g/mol, XLogP of -1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyprop-1-enyl(trimethyl)azanium bromide is sourced from PubChem (CID 173417319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).