2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride

C13H25ClN2O3 — CID 6455489

IUPAC2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(N)=O.[Cl-]
InChIInChI=1S/C9H18NO2.C4H7NO.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;1-3(2)4(5)6;/h1,6-7H2,2-5H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyJMZPTPHKRPTIFT-UHFFFAOYSA-M
MW292.81 g/mol
LogP-2.14
Rot. Bonds5

About 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride

2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride (PubChem CID 6455489) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride.

Molecular Properties

Compound Name2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
PubChem CID6455489
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(N)=O.[Cl-]
InChIInChI=1S/C9H18NO2.C4H7NO.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;1-3(2)4(5)6;/h1,6-7H2,2-5H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyJMZPTPHKRPTIFT-UHFFFAOYSA-M
XLogP-2.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139835753
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
2-(2-methylprop-2-enoyloxy)ethyl-[2-(trimethylazaniumyl)ethoxy]phosphinate
CID 168739596
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-methylprop-2-enamide;trimethyl(propyl)azanium;hydroxide
CID 23175266
2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
CID 172726865

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride?
The IUPAC name of 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride (CID 6455489) is 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride.
What is the SMILES notation for 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride?
The canonical SMILES for 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride is C=C(C)C(=O)OCC[N+](C)(C)C.C=C(C)C(N)=O.[Cl-].
What is the InChIKey of 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride?
The InChIKey is JMZPTPHKRPTIFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.C4H7NO.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;1-3(2)4(5)6;/h1,6-7H2,2-5H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1.
What are the key properties of 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride?
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride has a molecular weight of 292.81 g/mol, XLogP of -2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride is sourced from PubChem (CID 6455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).