2-(2-methylprop-2-enoyloxy)ethylazanium bromide

C6H12BrNO2 — CID 87670529

IUPAC2-(2-methylprop-2-enoyloxy)ethylazanium bromide
SMILESC=C(C)C(=O)OCC[NH3+].[Br-]
InChIInChI=1S/C6H11NO2.BrH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
InChIKeyUYTZUSYTYJUZEP-UHFFFAOYSA-N
MW210.07 g/mol
LogP-3.65
Rot. Bonds3

About 2-(2-methylprop-2-enoyloxy)ethylazanium bromide

2-(2-methylprop-2-enoyloxy)ethylazanium bromide (PubChem CID 87670529) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethylazanium bromide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethylazanium bromide
PubChem CID87670529
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-(2-methylprop-2-enoyloxy)ethylazanium bromide
SMILESC=C(C)C(=O)OCC[NH3+].[Br-]
InChIInChI=1S/C6H11NO2.BrH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
InChIKeyUYTZUSYTYJUZEP-UHFFFAOYSA-N
XLogP-3.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethylazanium bromide?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethylazanium bromide (CID 87670529) is 2-(2-methylprop-2-enoyloxy)ethylazanium bromide.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethylazanium bromide?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethylazanium bromide is C=C(C)C(=O)OCC[NH3+].[Br-].
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethylazanium bromide?
The InChIKey is UYTZUSYTYJUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.BrH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethylazanium bromide?
2-(2-methylprop-2-enoyloxy)ethylazanium bromide has a molecular weight of 210.07 g/mol, XLogP of -3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethylazanium bromide is sourced from PubChem (CID 87670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).