triethyl(2-methylprop-2-enoyloxy)azanium chloride

C10H20ClNO2 — CID 22385402

IUPACtriethyl(2-methylprop-2-enoyloxy)azanium chloride
SMILESC=C(C)C(=O)O[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C10H20NO2.ClH/c1-6-11(7-2,8-3)13-10(12)9(4)5;/h4,6-8H2,1-3,5H3;1H/q+1;/p-1
InChIKeyIEFUOHJPFKCNGJ-UHFFFAOYSA-M
MW221.73 g/mol
LogP-1.10
Rot. Bonds5

About triethyl(2-methylprop-2-enoyloxy)azanium chloride

triethyl(2-methylprop-2-enoyloxy)azanium chloride (PubChem CID 22385402) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is triethyl(2-methylprop-2-enoyloxy)azanium chloride.

Molecular Properties

Compound Nametriethyl(2-methylprop-2-enoyloxy)azanium chloride
PubChem CID22385402
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nametriethyl(2-methylprop-2-enoyloxy)azanium chloride
SMILESC=C(C)C(=O)O[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C10H20NO2.ClH/c1-6-11(7-2,8-3)13-10(12)9(4)5;/h4,6-8H2,1-3,5H3;1H/q+1;/p-1
InChIKeyIEFUOHJPFKCNGJ-UHFFFAOYSA-M
XLogP-1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(ethyl-dimethyl-(2-methylprop-2-enoyloxy)azanium);sulfate
CID 156858936
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
carboxy-ethyl-hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 54307491
butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
CID 87218117
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
azane;propyl 2-methylprop-2-enoate
CID 172812841
diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87837598
disulfanylethane;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174917305
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-methylprop-2-enoyl butanoate
CID 19018301
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]ethyl 2-methylprop-2-enoate
CID 141098412

Frequently Asked Questions

What is the IUPAC name of triethyl(2-methylprop-2-enoyloxy)azanium chloride?
The IUPAC name of triethyl(2-methylprop-2-enoyloxy)azanium chloride (CID 22385402) is triethyl(2-methylprop-2-enoyloxy)azanium chloride.
What is the SMILES notation for triethyl(2-methylprop-2-enoyloxy)azanium chloride?
The canonical SMILES for triethyl(2-methylprop-2-enoyloxy)azanium chloride is C=C(C)C(=O)O[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl(2-methylprop-2-enoyloxy)azanium chloride?
The InChIKey is IEFUOHJPFKCNGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20NO2.ClH/c1-6-11(7-2,8-3)13-10(12)9(4)5;/h4,6-8H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of triethyl(2-methylprop-2-enoyloxy)azanium chloride?
triethyl(2-methylprop-2-enoyloxy)azanium chloride has a molecular weight of 221.73 g/mol, XLogP of -1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methylprop-2-enoyloxy)azanium chloride is sourced from PubChem (CID 22385402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).