2-methylprop-2-enoate;tetraethylazanium

C12H25NO2 — CID 18421326

IUPAC2-methylprop-2-enoate;tetraethylazanium
SMILESC=C(C)C(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C4H6O2/c1-5-9(6-2,7-3)8-4;1-3(2)4(5)6/h5-8H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyWNYXINDSYALLJZ-UHFFFAOYSA-M
MW215.34 g/mol
LogP1.20
Rot. Bonds5

About 2-methylprop-2-enoate;tetraethylazanium

2-methylprop-2-enoate;tetraethylazanium (PubChem CID 18421326) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylprop-2-enoate;tetraethylazanium.

Molecular Properties

Compound Name2-methylprop-2-enoate;tetraethylazanium
PubChem CID18421326
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methylprop-2-enoate;tetraethylazanium
SMILESC=C(C)C(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C4H6O2/c1-5-9(6-2,7-3)8-4;1-3(2)4(5)6/h5-8H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyWNYXINDSYALLJZ-UHFFFAOYSA-M
XLogP1.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.20
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'}

Analyze 2-methylprop-2-enoate;tetraethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoate;tetraethylazanium?
The IUPAC name of 2-methylprop-2-enoate;tetraethylazanium (CID 18421326) is 2-methylprop-2-enoate;tetraethylazanium.
What is the SMILES notation for 2-methylprop-2-enoate;tetraethylazanium?
The canonical SMILES for 2-methylprop-2-enoate;tetraethylazanium is C=C(C)C(=O)[O-].CC[N+](CC)(CC)CC.
What is the InChIKey of 2-methylprop-2-enoate;tetraethylazanium?
The InChIKey is WNYXINDSYALLJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C4H6O2/c1-5-9(6-2,7-3)8-4;1-3(2)4(5)6/h5-8H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-methylprop-2-enoate;tetraethylazanium?
2-methylprop-2-enoate;tetraethylazanium has a molecular weight of 215.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoate;tetraethylazanium is sourced from PubChem (CID 18421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).