2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium

C9H18NO3+ — CID 20793299

IUPAC2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)CCO
InChIInChI=1S/C9H18NO3/c1-4-9(12)13-8-6-10(2,3)5-7-11/h4,11H,1,5-8H2,2-3H3/q+1
InChIKeyOAOOFWFJJMHNHM-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.22
Rot. Bonds6

About 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium

2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium (PubChem CID 20793299) has the molecular formula C9H18NO3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
PubChem CID20793299
Molecular FormulaC9H18NO3+
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)CCO
InChIInChI=1S/C9H18NO3/c1-4-9(12)13-8-6-10(2,3)5-7-11/h4,11H,1,5-8H2,2-3H3/q+1
InChIKeyOAOOFWFJJMHNHM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)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-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium (CID 20793299) is 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is OAOOFWFJJMHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3/c1-4-9(12)13-8-6-10(2,3)5-7-11/h4,11H,1,5-8H2,2-3H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium?
2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 188.25 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 20793299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).