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

C10H18ClNO3 — CID 146290763

IUPACacetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(C)=O.[Cl-]
InChIInChI=1S/C10H18NO3.ClH/c1-8(2)10(13)14-7-6-11(4,5)9(3)12;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyVARAQPDRXCIBAV-UHFFFAOYSA-M
MW235.71 g/mol
LogP-2.27
Rot. Bonds4

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

acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (PubChem CID 146290763) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.

Molecular Properties

Compound Nameacetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
PubChem CID146290763
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Nameacetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(C)=O.[Cl-]
InChIInChI=1S/C10H18NO3.ClH/c1-8(2)10(13)14-7-6-11(4,5)9(3)12;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyVARAQPDRXCIBAV-UHFFFAOYSA-M
XLogP-2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The IUPAC name of acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (CID 146290763) is acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
What is the SMILES notation for acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The canonical SMILES for acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride is C=C(C)C(=O)OCC[N+](C)(C)C(C)=O.[Cl-].
What is the InChIKey of acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The InChIKey is VARAQPDRXCIBAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NO3.ClH/c1-8(2)10(13)14-7-6-11(4,5)9(3)12;/h1,6-7H2,2-5H3;1H/q+1;/p-1.
What are the key properties of acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride has a molecular weight of 235.71 g/mol, XLogP of -2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride is sourced from PubChem (CID 146290763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).