ethenyl(trimethyl)azanium hydroxide

C5H13NO — CID 10042

IUPACethenyl(trimethyl)azanium hydroxide
SMILESC=C[N+](C)(C)C.[OH-]
InChIInChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
InChIKeyNIPLIJLVGZCKMP-UHFFFAOYSA-M
MW103.16 g/mol
LogP0.66
Rot. Bonds1

About ethenyl(trimethyl)azanium hydroxide

ethenyl(trimethyl)azanium hydroxide (PubChem CID 10042) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is ethenyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Nameethenyl(trimethyl)azanium hydroxide
PubChem CID10042
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Nameethenyl(trimethyl)azanium hydroxide
SMILESC=C[N+](C)(C)C.[OH-]
InChIInChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
InChIKeyNIPLIJLVGZCKMP-UHFFFAOYSA-M
XLogP0.66
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of ethenyl(trimethyl)azanium hydroxide?
The IUPAC name of ethenyl(trimethyl)azanium hydroxide (CID 10042) is ethenyl(trimethyl)azanium hydroxide.
What is the SMILES notation for ethenyl(trimethyl)azanium hydroxide?
The canonical SMILES for ethenyl(trimethyl)azanium hydroxide is C=C[N+](C)(C)C.[OH-].
What is the InChIKey of ethenyl(trimethyl)azanium hydroxide?
The InChIKey is NIPLIJLVGZCKMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1.
What are the key properties of ethenyl(trimethyl)azanium hydroxide?
ethenyl(trimethyl)azanium hydroxide has a molecular weight of 103.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 10042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).