diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride

C11H22ClNO2 — CID 21149726

IUPACdiethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride
SMILESC=CC(=O)OC(C)C[N+](C)(CC)CC.[Cl-]
InChIInChI=1S/C11H22NO2.ClH/c1-6-11(13)14-10(4)9-12(5,7-2)8-3;/h6,10H,1,7-9H2,2-5H3;1H/q+1;/p-1
InChIKeyNNLKRJIEZYOPNY-UHFFFAOYSA-M
MW235.75 g/mol
LogP-1.41
Rot. Bonds6

About diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride

diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride (PubChem CID 21149726) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride.

Molecular Properties

Compound Namediethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride
PubChem CID21149726
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Namediethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride
SMILESC=CC(=O)OC(C)C[N+](C)(CC)CC.[Cl-]
InChIInChI=1S/C11H22NO2.ClH/c1-6-11(13)14-10(4)9-12(5,7-2)8-3;/h6,10H,1,7-9H2,2-5H3;1H/q+1;/p-1
InChIKeyNNLKRJIEZYOPNY-UHFFFAOYSA-M
XLogP-1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride?
The IUPAC name of diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride (CID 21149726) is diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride.
What is the SMILES notation for diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride?
The canonical SMILES for diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride is C=CC(=O)OC(C)C[N+](C)(CC)CC.[Cl-].
What is the InChIKey of diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride?
The InChIKey is NNLKRJIEZYOPNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO2.ClH/c1-6-11(13)14-10(4)9-12(5,7-2)8-3;/h6,10H,1,7-9H2,2-5H3;1H/q+1;/p-1.
What are the key properties of diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride?
diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride has a molecular weight of 235.75 g/mol, XLogP of -1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(2-prop-2-enoyloxypropyl)azanium chloride is sourced from PubChem (CID 21149726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).