diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride

C6H20Cl3N3O2 — CID 143861724

IUPACdiazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
SMILESC=C(C)C(=O)OCC[NH3+].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+]
InChIInChI=1S/C6H11NO2.3ClH.2H3N/c1-5(2)6(8)9-4-3-7;;;;;/h1,3-4,7H2,2H3;3*1H;2*1H3
InChIKeyOBOMGSZOOFGARQ-UHFFFAOYSA-N
MW272.60 g/mol
LogP-8.89
Rot. Bonds3

About diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride

diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride (PubChem CID 143861724) has the molecular formula C6H20Cl3N3O2 and a molecular weight of 272.60 g/mol. Its IUPAC name is diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride.

Molecular Properties

Compound Namediazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
PubChem CID143861724
Molecular FormulaC6H20Cl3N3O2
Molecular Weight272.60 g/mol
Exact Mass271.06
IUPAC Namediazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
SMILESC=C(C)C(=O)OCC[NH3+].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+]
InChIInChI=1S/C6H11NO2.3ClH.2H3N/c1-5(2)6(8)9-4-3-7;;;;;/h1,3-4,7H2,2H3;3*1H;2*1H3
InChIKeyOBOMGSZOOFGARQ-UHFFFAOYSA-N
XLogP-8.89
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.60
LogP ≤ 5-8.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 53470662
methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 159250913
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
benzenesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 88734016
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-dimethylarsanylethyl 2-methylprop-2-enoate
CID 87191612
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502

Frequently Asked Questions

What is the IUPAC name of diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride?
The IUPAC name of diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride (CID 143861724) is diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride.
What is the SMILES notation for diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride?
The canonical SMILES for diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride is C=C(C)C(=O)OCC[NH3+].[Cl-].[Cl-].[Cl-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride?
The InChIKey is OBOMGSZOOFGARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.3ClH.2H3N/c1-5(2)6(8)9-4-3-7;;;;;/h1,3-4,7H2,2H3;3*1H;2*1H3.
What are the key properties of diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride?
diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride has a molecular weight of 272.60 g/mol, XLogP of -8.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride is sourced from PubChem (CID 143861724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).