2-hydroxyprop-2-enyl(dimethyl)azanium chloride

C5H12ClNO — CID 162144902

IUPAC2-hydroxyprop-2-enyl(dimethyl)azanium chloride
SMILESC=C(O)C[NH+](C)C.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c1-5(7)4-6(2)3;/h7H,1,4H2,2-3H3;1H
InChIKeyZKKPRDUDDYBUEK-UHFFFAOYSA-N
MW137.61 g/mol
LogP-3.79
Rot. Bonds2

About 2-hydroxyprop-2-enyl(dimethyl)azanium chloride

2-hydroxyprop-2-enyl(dimethyl)azanium chloride (PubChem CID 162144902) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl(dimethyl)azanium chloride
PubChem CID162144902
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name2-hydroxyprop-2-enyl(dimethyl)azanium chloride
SMILESC=C(O)C[NH+](C)C.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c1-5(7)4-6(2)3;/h7H,1,4H2,2-3H3;1H
InChIKeyZKKPRDUDDYBUEK-UHFFFAOYSA-N
XLogP-3.79
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl(dimethyl)azanium chloride?
The IUPAC name of 2-hydroxyprop-2-enyl(dimethyl)azanium chloride (CID 162144902) is 2-hydroxyprop-2-enyl(dimethyl)azanium chloride.
What is the SMILES notation for 2-hydroxyprop-2-enyl(dimethyl)azanium chloride?
The canonical SMILES for 2-hydroxyprop-2-enyl(dimethyl)azanium chloride is C=C(O)C[NH+](C)C.[Cl-].
What is the InChIKey of 2-hydroxyprop-2-enyl(dimethyl)azanium chloride?
The InChIKey is ZKKPRDUDDYBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-5(7)4-6(2)3;/h7H,1,4H2,2-3H3;1H.
What are the key properties of 2-hydroxyprop-2-enyl(dimethyl)azanium chloride?
2-hydroxyprop-2-enyl(dimethyl)azanium chloride has a molecular weight of 137.61 g/mol, XLogP of -3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl(dimethyl)azanium chloride is sourced from PubChem (CID 162144902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).