1-hydroxyethyl-tris(prop-2-enyl)azanium

C11H20NO+ — CID 87576929

IUPAC1-hydroxyethyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)C(C)O
InChIInChI=1S/C11H20NO/c1-5-8-12(9-6-2,10-7-3)11(4)13/h5-7,11,13H,1-3,8-10H2,4H3/q+1
InChIKeyXAZDVMUMYYZXEU-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.70
Rot. Bonds7

About 1-hydroxyethyl-tris(prop-2-enyl)azanium

1-hydroxyethyl-tris(prop-2-enyl)azanium (PubChem CID 87576929) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-hydroxyethyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Name1-hydroxyethyl-tris(prop-2-enyl)azanium
PubChem CID87576929
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name1-hydroxyethyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)C(C)O
InChIInChI=1S/C11H20NO/c1-5-8-12(9-6-2,10-7-3)11(4)13/h5-7,11,13H,1-3,8-10H2,4H3/q+1
InChIKeyXAZDVMUMYYZXEU-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-hydroxyethyl-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 1-hydroxyethyl-tris(prop-2-enyl)azanium?
The IUPAC name of 1-hydroxyethyl-tris(prop-2-enyl)azanium (CID 87576929) is 1-hydroxyethyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for 1-hydroxyethyl-tris(prop-2-enyl)azanium?
The canonical SMILES for 1-hydroxyethyl-tris(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)C(C)O.
What is the InChIKey of 1-hydroxyethyl-tris(prop-2-enyl)azanium?
The InChIKey is XAZDVMUMYYZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO/c1-5-8-12(9-6-2,10-7-3)11(4)13/h5-7,11,13H,1-3,8-10H2,4H3/q+1.
What are the key properties of 1-hydroxyethyl-tris(prop-2-enyl)azanium?
1-hydroxyethyl-tris(prop-2-enyl)azanium has a molecular weight of 182.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 87576929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).