2-methylprop-2-enoate;triethyl(methyl)azanium

C11H23NO2 — CID 19888199

IUPAC2-methylprop-2-enoate;triethyl(methyl)azanium
SMILESC=C(C)C(=O)[O-].CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C4H6O2/c1-5-8(4,6-2)7-3;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyRFIIUAJGZZBDSD-UHFFFAOYSA-M
MW201.31 g/mol
LogP0.81
Rot. Bonds4

About 2-methylprop-2-enoate;triethyl(methyl)azanium

2-methylprop-2-enoate;triethyl(methyl)azanium (PubChem CID 19888199) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methylprop-2-enoate;triethyl(methyl)azanium.

Molecular Properties

Compound Name2-methylprop-2-enoate;triethyl(methyl)azanium
PubChem CID19888199
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methylprop-2-enoate;triethyl(methyl)azanium
SMILESC=C(C)C(=O)[O-].CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C4H6O2/c1-5-8(4,6-2)7-3;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyRFIIUAJGZZBDSD-UHFFFAOYSA-M
XLogP0.81
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.81
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 2-methylprop-2-enoate;triethyl(methyl)azanium?
The IUPAC name of 2-methylprop-2-enoate;triethyl(methyl)azanium (CID 19888199) is 2-methylprop-2-enoate;triethyl(methyl)azanium.
What is the SMILES notation for 2-methylprop-2-enoate;triethyl(methyl)azanium?
The canonical SMILES for 2-methylprop-2-enoate;triethyl(methyl)azanium is C=C(C)C(=O)[O-].CC[N+](C)(CC)CC.
What is the InChIKey of 2-methylprop-2-enoate;triethyl(methyl)azanium?
The InChIKey is RFIIUAJGZZBDSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.C4H6O2/c1-5-8(4,6-2)7-3;1-3(2)4(5)6/h5-7H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-methylprop-2-enoate;triethyl(methyl)azanium?
2-methylprop-2-enoate;triethyl(methyl)azanium has a molecular weight of 201.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoate;triethyl(methyl)azanium is sourced from PubChem (CID 19888199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).