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

C9H20NO2+ — CID 23227967

IUPAC(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium
SMILESC=CCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1
InChIKeyQQXZEVUERYRMGU-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.26
Rot. Bonds6

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

(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium (PubChem CID 23227967) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium
PubChem CID23227967
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium
SMILESC=CCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1
InChIKeyQQXZEVUERYRMGU-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.26
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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium (CID 23227967) is (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium is C=CCOCC(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium?
The InChIKey is QQXZEVUERYRMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3/q+1.
What are the key properties of (2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium?
(2-hydroxy-3-prop-2-enoxypropyl)-trimethylazanium has a molecular weight of 174.26 g/mol, XLogP of 0.26, 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 is sourced from PubChem (CID 23227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).