dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide

C8H16BrNO2 — CID 15277944

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
SMILESC=C(C)C(=O)OCC[NH+](C)C.[Br-]
InChIInChI=1S/C8H15NO2.BrH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyHYTWSJWXLMPIKR-UHFFFAOYSA-N
MW238.12 g/mol
LogP-3.75
Rot. Bonds4

About dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide (PubChem CID 15277944) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
PubChem CID15277944
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
SMILESC=C(C)C(=O)OCC[NH+](C)C.[Br-]
InChIInChI=1S/C8H15NO2.BrH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyHYTWSJWXLMPIKR-UHFFFAOYSA-N
XLogP-3.75
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide (CID 15277944) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide is C=C(C)C(=O)OCC[NH+](C)C.[Br-].
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The InChIKey is HYTWSJWXLMPIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.BrH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide has a molecular weight of 238.12 g/mol, XLogP of -3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide is sourced from PubChem (CID 15277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).