ethyl-dimethyl-(2-methylprop-2-enoyl)azanium

C8H16NO+ — CID 54024522

IUPACethyl-dimethyl-(2-methylprop-2-enoyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CC
InChIInChI=1S/C8H16NO/c1-6-9(4,5)8(10)7(2)3/h2,6H2,1,3-5H3/q+1
InChIKeyLBFYFMWRYMLZKB-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.19
Rot. Bonds2

About ethyl-dimethyl-(2-methylprop-2-enoyl)azanium

ethyl-dimethyl-(2-methylprop-2-enoyl)azanium (PubChem CID 54024522) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is ethyl-dimethyl-(2-methylprop-2-enoyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(2-methylprop-2-enoyl)azanium
PubChem CID54024522
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Nameethyl-dimethyl-(2-methylprop-2-enoyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CC
InChIInChI=1S/C8H16NO/c1-6-9(4,5)8(10)7(2)3/h2,6H2,1,3-5H3/q+1
InChIKeyLBFYFMWRYMLZKB-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.19
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

carboxy-ethyl-dimethylazanium
CID 23191690
ethyl(trimethyl)azanium;2-methylprop-2-enamide;chloride;hydrate
CID 175420693
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
CID 173413432
CID 173413432
triethyl(2-methylprop-2-enoyloxy)azanium chloride
CID 22385402
trimethyl-(5-methyl-3,4-dioxohex-5-enyl)azanium
CID 19367479
ethyl-dimethyl-(2-methylprop-2-enoylperoxymethyl)azanium
CID 159160579
ethyl-dimethyl-[3-(2-methylprop-2-enoylamino)pentyl]azanium
CID 87943234
2-acetyloxyethoxycarbonyl-ethyl-dimethylazanium
CID 123974119
2-methylprop-2-enamide;trimethyl(propyl)azanium;hydroxide
CID 23175266
2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
CID 172726865
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87570281

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The IUPAC name of ethyl-dimethyl-(2-methylprop-2-enoyl)azanium (CID 54024522) is ethyl-dimethyl-(2-methylprop-2-enoyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The canonical SMILES for ethyl-dimethyl-(2-methylprop-2-enoyl)azanium is C=C(C)C(=O)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The InChIKey is LBFYFMWRYMLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-6-9(4,5)8(10)7(2)3/h2,6H2,1,3-5H3/q+1.
What are the key properties of ethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
ethyl-dimethyl-(2-methylprop-2-enoyl)azanium has a molecular weight of 142.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-methylprop-2-enoyl)azanium is sourced from PubChem (CID 54024522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).