2,3-dihydroxypropyl-tris(prop-2-enyl)azanium

C12H22NO2+ — CID 87769825

IUPAC2,3-dihydroxypropyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC(O)CO
InChIInChI=1S/C12H22NO2/c1-4-7-13(8-5-2,9-6-3)10-12(15)11-14/h4-6,12,14-15H,1-3,7-11H2/q+1
InChIKeyJNSQMXGBGMPWMX-UHFFFAOYSA-N
MW212.31 g/mol
LogP0.71
Rot. Bonds9

About 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium

2,3-dihydroxypropyl-tris(prop-2-enyl)azanium (PubChem CID 87769825) has the molecular formula C12H22NO2+ and a molecular weight of 212.31 g/mol. Its IUPAC name is 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Name2,3-dihydroxypropyl-tris(prop-2-enyl)azanium
PubChem CID87769825
Molecular FormulaC12H22NO2+
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name2,3-dihydroxypropyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC(O)CO
InChIInChI=1S/C12H22NO2/c1-4-7-13(8-5-2,9-6-3)10-12(15)11-14/h4-6,12,14-15H,1-3,7-11H2/q+1
InChIKeyJNSQMXGBGMPWMX-UHFFFAOYSA-N
XLogP0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium 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 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium?
The IUPAC name of 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium (CID 87769825) is 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium?
The canonical SMILES for 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium?
The InChIKey is JNSQMXGBGMPWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2/c1-4-7-13(8-5-2,9-6-3)10-12(15)11-14/h4-6,12,14-15H,1-3,7-11H2/q+1.
What are the key properties of 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium?
2,3-dihydroxypropyl-tris(prop-2-enyl)azanium has a molecular weight of 212.31 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 87769825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).