prop-2-enamide;tetraethylazanium

C11H25N2O+ — CID 160757497

IUPACprop-2-enamide;tetraethylazanium
SMILESC=CC(N)=O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H5NO/c1-5-9(6-2,7-3)8-4;1-2-3(4)5/h5-8H2,1-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyRXPWTTYSYATPQI-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.54
Rot. Bonds5

About prop-2-enamide;tetraethylazanium

prop-2-enamide;tetraethylazanium (PubChem CID 160757497) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is prop-2-enamide;tetraethylazanium.

Molecular Properties

Compound Nameprop-2-enamide;tetraethylazanium
PubChem CID160757497
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Nameprop-2-enamide;tetraethylazanium
SMILESC=CC(N)=O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H5NO/c1-5-9(6-2,7-3)8-4;1-2-3(4)5/h5-8H2,1-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyRXPWTTYSYATPQI-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

diethyl(dimethyl)azanium;prop-2-enamide
CID 19752026
CID 172708986
CID 172708986
CID 118976628
CID 118976628
tetraethylazanium;urea;hydroxide
CID 175541942
carbamic acid;tetraethylazanium
CID 159284464
pentane;prop-2-enamide
CID 139391622
benzyl(triethyl)azanium;prop-2-enamide;bromide
CID 88664409
benzyl(triethyl)azanium;prop-2-enamide;chloride
CID 87304948
acetamide;prop-2-enamide
CID 158566181
methanamine;prop-2-enamide;hydrate
CID 174696935
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;tetraethylazanium?
The IUPAC name of prop-2-enamide;tetraethylazanium (CID 160757497) is prop-2-enamide;tetraethylazanium.
What is the SMILES notation for prop-2-enamide;tetraethylazanium?
The canonical SMILES for prop-2-enamide;tetraethylazanium is C=CC(N)=O.CC[N+](CC)(CC)CC.
What is the InChIKey of prop-2-enamide;tetraethylazanium?
The InChIKey is RXPWTTYSYATPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C3H5NO/c1-5-9(6-2,7-3)8-4;1-2-3(4)5/h5-8H2,1-4H3;2H,1H2,(H2,4,5)/q+1;.
What are the key properties of prop-2-enamide;tetraethylazanium?
prop-2-enamide;tetraethylazanium has a molecular weight of 201.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;tetraethylazanium is sourced from PubChem (CID 160757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).