triethyl(2-prop-2-enoyloxyethyl)azanium bromide

C11H22BrNO2 — CID 21315358

IUPACtriethyl(2-prop-2-enoyloxyethyl)azanium bromide
SMILESC=CC(=O)OCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C11H22NO2.BrH/c1-5-11(13)14-10-9-12(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1
InChIKeyXLRLRFILSCUPFG-UHFFFAOYSA-M
MW280.21 g/mol
LogP-1.40
Rot. Bonds7

About triethyl(2-prop-2-enoyloxyethyl)azanium bromide

triethyl(2-prop-2-enoyloxyethyl)azanium bromide (PubChem CID 21315358) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is triethyl(2-prop-2-enoyloxyethyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(2-prop-2-enoyloxyethyl)azanium bromide
PubChem CID21315358
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Nametriethyl(2-prop-2-enoyloxyethyl)azanium bromide
SMILESC=CC(=O)OCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C11H22NO2.BrH/c1-5-11(13)14-10-9-12(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1
InChIKeyXLRLRFILSCUPFG-UHFFFAOYSA-M
XLogP-1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-1.40
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 triethyl(2-prop-2-enoyloxyethyl)azanium bromide?
The IUPAC name of triethyl(2-prop-2-enoyloxyethyl)azanium bromide (CID 21315358) is triethyl(2-prop-2-enoyloxyethyl)azanium bromide.
What is the SMILES notation for triethyl(2-prop-2-enoyloxyethyl)azanium bromide?
The canonical SMILES for triethyl(2-prop-2-enoyloxyethyl)azanium bromide is C=CC(=O)OCC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl(2-prop-2-enoyloxyethyl)azanium bromide?
The InChIKey is XLRLRFILSCUPFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO2.BrH/c1-5-11(13)14-10-9-12(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(2-prop-2-enoyloxyethyl)azanium bromide?
triethyl(2-prop-2-enoyloxyethyl)azanium bromide has a molecular weight of 280.21 g/mol, XLogP of -1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-prop-2-enoyloxyethyl)azanium bromide is sourced from PubChem (CID 21315358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).