(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride

C9H20ClNO2 — CID 23227966

IUPAC(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
SMILESC=CCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO2.ClH/c1-5-6-12-8-9(11)7-10(2,3)4;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyAOSKMXGKGRLUEQ-UHFFFAOYSA-M
MW209.72 g/mol
LogP-2.74
Rot. Bonds6

About (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride

(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride (PubChem CID 23227966) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
PubChem CID23227966
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
SMILESC=CCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO2.ClH/c1-5-6-12-8-9(11)7-10(2,3)4;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyAOSKMXGKGRLUEQ-UHFFFAOYSA-M
XLogP-2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 5-2.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
CID 114449
1-(4-Methylpiperazin-1-yl)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 18593528
1-(Allyloxy)-3-morpholinopropan-2-ol
CID 13312052
1-(Allyloxy)-3-(dimethylamino)propan-2-ol
CID 2793817
1-[Bis(2-hydroxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 13725666
(3-(Allyloxy)-2-hydroxypropyl)dimethylammonium acetate
CID 44146282
1-(Dibutylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261304
1-(Allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride
CID 3022344
((3-Allyloxy-2-hydroxy)propyl)trimethylammonium chloride
CID 90659605
1-[Hydroxy-(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 170842524
1-(Dipropylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261295
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride?
The IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride (CID 23227966) is (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride?
The canonical SMILES for (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride is C=CCOCC(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride?
The InChIKey is AOSKMXGKGRLUEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO2.ClH/c1-5-6-12-8-9(11)7-10(2,3)4;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride?
(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride has a molecular weight of 209.72 g/mol, XLogP of -2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride is sourced from PubChem (CID 23227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).