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

C6H12NO2+ — CID 6997168

IUPAC2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+]
InChIInChI=1S/C6H11NO2/c1-5(2)6(8)9-4-3-7/h1,3-4,7H2,2H3/p+1
InChIKeyQLIBJPGWWSHWBF-UHFFFAOYSA-O
MW130.17 g/mol
LogP-0.65
Rot. Bonds3

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

2-(2-methylprop-2-enoyloxy)ethylazanium (PubChem CID 6997168) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethylazanium.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethylazanium
PubChem CID6997168
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+]
InChIInChI=1S/C6H11NO2/c1-5(2)6(8)9-4-3-7/h1,3-4,7H2,2H3/p+1
InChIKeyQLIBJPGWWSHWBF-UHFFFAOYSA-O
XLogP-0.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.65
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethylazanium?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethylazanium (CID 6997168) is 2-(2-methylprop-2-enoyloxy)ethylazanium.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethylazanium?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethylazanium is C=C(C)C(=O)OCC[NH3+].
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethylazanium?
The InChIKey is QLIBJPGWWSHWBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO2/c1-5(2)6(8)9-4-3-7/h1,3-4,7H2,2H3/p+1.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethylazanium?
2-(2-methylprop-2-enoyloxy)ethylazanium has a molecular weight of 130.17 g/mol, XLogP of -0.65, 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 is sourced from PubChem (CID 6997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).