ethenyl(trimethyl)azanium;formaldehyde

C6H14NO+ — CID 118496575

IUPACethenyl(trimethyl)azanium;formaldehyde
SMILESC=C[N+](C)(C)C.C=O
InChIInChI=1S/C5H12N.CH2O/c1-5-6(2,3)4;1-2/h5H,1H2,2-4H3;1H2/q+1;
InChIKeyXVUZIWZTQBKTMT-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.65
Rot. Bonds1

About ethenyl(trimethyl)azanium;formaldehyde

ethenyl(trimethyl)azanium;formaldehyde (PubChem CID 118496575) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is ethenyl(trimethyl)azanium;formaldehyde.

Molecular Properties

Compound Nameethenyl(trimethyl)azanium;formaldehyde
PubChem CID118496575
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Nameethenyl(trimethyl)azanium;formaldehyde
SMILESC=C[N+](C)(C)C.C=O
InChIInChI=1S/C5H12N.CH2O/c1-5-6(2,3)4;1-2/h5H,1H2,2-4H3;1H2/q+1;
InChIKeyXVUZIWZTQBKTMT-UHFFFAOYSA-N
XLogP0.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;tetramethylazanium
CID 57468222
1,2-diphenylethane-1,2-dione;ethenyl(trimethyl)azanium;bromide
CID 174526746
formaldehyde;sulfane
CID 173389558
3-methylpenta-1,4-diene
CID 102571839
carbanide;ethylideneplatinum;formaldehyde
CID 175281249
buta-1,3-dienyl(trimethyl)azanium bromide
CID 71380318
formaldehyde;rhodium;sulfane
CID 88666983
methane;prop-1-ene;sulfane
CID 20979358
acetaldehyde;formaldehyde
CID 162213164
methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
CID 158693664
trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium
CID 171628713

Frequently Asked Questions

What is the IUPAC name of ethenyl(trimethyl)azanium;formaldehyde?
The IUPAC name of ethenyl(trimethyl)azanium;formaldehyde (CID 118496575) is ethenyl(trimethyl)azanium;formaldehyde.
What is the SMILES notation for ethenyl(trimethyl)azanium;formaldehyde?
The canonical SMILES for ethenyl(trimethyl)azanium;formaldehyde is C=C[N+](C)(C)C.C=O.
What is the InChIKey of ethenyl(trimethyl)azanium;formaldehyde?
The InChIKey is XVUZIWZTQBKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.CH2O/c1-5-6(2,3)4;1-2/h5H,1H2,2-4H3;1H2/q+1;.
What are the key properties of ethenyl(trimethyl)azanium;formaldehyde?
ethenyl(trimethyl)azanium;formaldehyde has a molecular weight of 116.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethyl)azanium;formaldehyde is sourced from PubChem (CID 118496575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).