2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide

C6H15NO2 — CID 88761520

IUPAC2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide
SMILESC=C(O)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H13NO.H2O/c1-6(8)5-7(2,3)4;/h1,5H2,2-4H3;1H2
InChIKeyWSFIZFYPESGKMF-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.59
Rot. Bonds2

About 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide

2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide (PubChem CID 88761520) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide
PubChem CID88761520
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide
SMILESC=C(O)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H13NO.H2O/c1-6(8)5-7(2,3)4;/h1,5H2,2-4H3;1H2
InChIKeyWSFIZFYPESGKMF-UHFFFAOYSA-N
XLogP0.59
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide?
The IUPAC name of 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide (CID 88761520) is 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide is C=C(O)C[N+](C)(C)C.[OH-].
What is the InChIKey of 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide?
The InChIKey is WSFIZFYPESGKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.H2O/c1-6(8)5-7(2,3)4;/h1,5H2,2-4H3;1H2.
What are the key properties of 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide?
2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide has a molecular weight of 133.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 88761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).