trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride

C11H19ClN2O3 — CID 174781364

IUPACtrimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride
SMILESC=CC(=O)NC(=C)C(=O)OC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H18N2O3.ClH/c1-7-10(14)12-8(2)11(15)16-9(3)13(4,5)6;/h7,9H,1-2H2,3-6H3;1H
InChIKeyPKOLJHWYMYESMO-UHFFFAOYSA-N
MW262.74 g/mol
LogP-2.60
Rot. Bonds5

About trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride

trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride (PubChem CID 174781364) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride
PubChem CID174781364
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Nametrimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride
SMILESC=CC(=O)NC(=C)C(=O)OC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H18N2O3.ClH/c1-7-10(14)12-8(2)11(15)16-9(3)13(4,5)6;/h7,9H,1-2H2,3-6H3;1H
InChIKeyPKOLJHWYMYESMO-UHFFFAOYSA-N
XLogP-2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
trimethyl-[1-(4-methyl-2-methylidene-3-oxopent-4-enoyl)oxyethyl]azanium
CID 139829236
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium
CID 19836216
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium chloride
CID 19836215
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997975
trimethyl(3-oxopent-4-en-2-yl)azanium chloride
CID 19359069
trimethyl-[1-[4-oxo-4-[1-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
CID 20975838
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
3-propan-2-yloxypenta-1,3-diene
CID 123296318
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
trimethyl-[2-(prop-2-enoylamino)pentan-3-yl]azanium
CID 19348922

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride?
The IUPAC name of trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride (CID 174781364) is trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride?
The canonical SMILES for trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride is C=CC(=O)NC(=C)C(=O)OC(C)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride?
The InChIKey is PKOLJHWYMYESMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c1-7-10(14)12-8(2)11(15)16-9(3)13(4,5)6;/h7,9H,1-2H2,3-6H3;1H.
What are the key properties of trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride?
trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride has a molecular weight of 262.74 g/mol, XLogP of -2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride is sourced from PubChem (CID 174781364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).