triethyl(prop-2-enoyl)azanium

C9H18NO+ — CID 139635482

IUPACtriethyl(prop-2-enoyl)azanium
SMILESC=CC(=O)[N+](CC)(CC)CC
InChIInChI=1S/C9H18NO/c1-5-9(11)10(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyBXXBECKKNXXAIV-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.58
Rot. Bonds4

About triethyl(prop-2-enoyl)azanium

triethyl(prop-2-enoyl)azanium (PubChem CID 139635482) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is triethyl(prop-2-enoyl)azanium.

Molecular Properties

Compound Nametriethyl(prop-2-enoyl)azanium
PubChem CID139635482
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Nametriethyl(prop-2-enoyl)azanium
SMILESC=CC(=O)[N+](CC)(CC)CC
InChIInChI=1S/C9H18NO/c1-5-9(11)10(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyBXXBECKKNXXAIV-UHFFFAOYSA-N
XLogP1.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
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

dibutyl-prop-2-enoyl-propylazanium
CID 87268891
butyl-bis(2-methylpropyl)-prop-2-enoylazanium
CID 87269199
prop-2-enamide;tetraethylazanium
CID 160757497
diethyl(dimethyl)azanium;prop-2-enamide
CID 19752026
propane;propan-2-one;prop-1-ene
CID 160807834
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503
ethanol;prop-2-enoic acid
CID 159350313
acetic acid;but-1-ene
CID 88520349
hexadecyl-dimethyl-prop-2-enoylazanium bromide
CID 175184486
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941

Frequently Asked Questions

What is the IUPAC name of triethyl(prop-2-enoyl)azanium?
The IUPAC name of triethyl(prop-2-enoyl)azanium (CID 139635482) is triethyl(prop-2-enoyl)azanium.
What is the SMILES notation for triethyl(prop-2-enoyl)azanium?
The canonical SMILES for triethyl(prop-2-enoyl)azanium is C=CC(=O)[N+](CC)(CC)CC.
What is the InChIKey of triethyl(prop-2-enoyl)azanium?
The InChIKey is BXXBECKKNXXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-5-9(11)10(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1.
What are the key properties of triethyl(prop-2-enoyl)azanium?
triethyl(prop-2-enoyl)azanium has a molecular weight of 156.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-enoyl)azanium is sourced from PubChem (CID 139635482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).