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

C8H14NO2+ — CID 54505311

IUPACdimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CC=O
InChIInChI=1S/C8H14NO2/c1-7(2)8(11)9(3,4)5-6-10/h6H,1,5H2,2-4H3/q+1
InChIKeyGUWRBJLXTBQCJV-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.36
Rot. Bonds3

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

dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium (PubChem CID 54505311) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium.

Molecular Properties

Compound Namedimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium
PubChem CID54505311
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Namedimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CC=O
InChIInChI=1S/C8H14NO2/c1-7(2)8(11)9(3,4)5-6-10/h6H,1,5H2,2-4H3/q+1
InChIKeyGUWRBJLXTBQCJV-UHFFFAOYSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Methacrylamidoacetaldehyde
CID 22616736
2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide
CID 15593825
N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide
CID 19094499
methyl N-(2-methylprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738499
N-(2-oxoethyl)-N-prop-2-enylpropanamide
CID 19738505
N-(2-methylprop-2-enyl)-N-(2-oxoethyl)acetamide
CID 19738554
N-acetyl-N-ethyl-2-methylprop-2-enamide
CID 22375235
N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
CID 23297267
N-formyl-2-methyl-N-prop-2-enylprop-2-enamide
CID 53749501
N-ethyl-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 53827322
N-(methoxymethyl)-2-methyl-N-propylprop-2-enamide
CID 87790972
N,2-dimethyl-N-(4-oxobutyl)prop-2-enamide
CID 88249546

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?
The IUPAC name of dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium (CID 54505311) is dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium.
What is the SMILES notation for dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?
The canonical SMILES for dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium is C=C(C)C(=O)[N+](C)(C)CC=O.
What is the InChIKey of dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?
The InChIKey is GUWRBJLXTBQCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-7(2)8(11)9(3,4)5-6-10/h6H,1,5H2,2-4H3/q+1.
What are the key properties of dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium?
dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium has a molecular weight of 156.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-2-enoyl)-(2-oxoethyl)azanium is sourced from PubChem (CID 54505311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).