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

C8H16ClNO2 — CID 76605683

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyJCRDPEHHTDKTGB-UHFFFAOYSA-N
MW193.67 g/mol
LogP-3.75
Rot. Bonds4

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

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (PubChem CID 76605683) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
PubChem CID76605683
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyJCRDPEHHTDKTGB-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 ≤ 500193.67
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 chloride?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (CID 76605683) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride is C=C(C)C(=O)OCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The InChIKey is JCRDPEHHTDKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/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 chloride?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride has a molecular weight of 193.67 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 chloride is sourced from PubChem (CID 76605683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).