3-hydroxyprop-2-enyl(trimethyl)azanium chloride

C6H14ClNO — CID 174591801

IUPAC3-hydroxyprop-2-enyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CC=CO.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-7(2,3)5-4-6-8;/h4,6H,5H2,1-3H3;1H
InChIKeyNNOLUCZUNPPLDL-UHFFFAOYSA-N
MW151.64 g/mol
LogP-2.23
Rot. Bonds2

About 3-hydroxyprop-2-enyl(trimethyl)azanium chloride

3-hydroxyprop-2-enyl(trimethyl)azanium chloride (PubChem CID 174591801) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 3-hydroxyprop-2-enyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name3-hydroxyprop-2-enyl(trimethyl)azanium chloride
PubChem CID174591801
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name3-hydroxyprop-2-enyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CC=CO.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-7(2,3)5-4-6-8;/h4,6H,5H2,1-3H3;1H
InChIKeyNNOLUCZUNPPLDL-UHFFFAOYSA-N
XLogP-2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

4-(trimethylazaniumyl)but-2-enoate
CID 589
trimethyl(2-oxoethyl)azanium chloride
CID 2735510
[(E)-dodec-2-enyl]-trimethylazanium chloride
CID 19848238
trimethyl(2-oxoethyl)azanium;chloride;hydrate
CID 71328962
3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide
CID 173224489
trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide
CID 24835970
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
[(E)-3-chlorobut-2-enyl]-trimethylazanium
CID 54605638
trimethyl-[(E)-oct-2-enyl]azanium bromide
CID 19848208
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
trimethyl-[(E)-octadec-2-enyl]azanium bromide
CID 19848237

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyprop-2-enyl(trimethyl)azanium chloride?
The IUPAC name of 3-hydroxyprop-2-enyl(trimethyl)azanium chloride (CID 174591801) is 3-hydroxyprop-2-enyl(trimethyl)azanium chloride.
What is the SMILES notation for 3-hydroxyprop-2-enyl(trimethyl)azanium chloride?
The canonical SMILES for 3-hydroxyprop-2-enyl(trimethyl)azanium chloride is C[N+](C)(C)CC=CO.[Cl-].
What is the InChIKey of 3-hydroxyprop-2-enyl(trimethyl)azanium chloride?
The InChIKey is NNOLUCZUNPPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-7(2,3)5-4-6-8;/h4,6H,5H2,1-3H3;1H.
What are the key properties of 3-hydroxyprop-2-enyl(trimethyl)azanium chloride?
3-hydroxyprop-2-enyl(trimethyl)azanium chloride has a molecular weight of 151.64 g/mol, XLogP of -2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyprop-2-enyl(trimethyl)azanium chloride is sourced from PubChem (CID 174591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).