2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium

C9H18NO3+ — CID 175241637

IUPAC2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium
SMILESC=CC(=O)O[N+](C)(CCC)CCO
InChIInChI=1S/C9H18NO3/c1-4-6-10(3,7-8-11)13-9(12)5-2/h5,11H,2,4,6-8H2,1,3H3/q+1
InChIKeyANZUQTILNCDLMU-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.48
Rot. Bonds6

About 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium

2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium (PubChem CID 175241637) has the molecular formula C9H18NO3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium.

Molecular Properties

Compound Name2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium
PubChem CID175241637
Molecular FormulaC9H18NO3+
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium
SMILESC=CC(=O)O[N+](C)(CCC)CCO
InChIInChI=1S/C9H18NO3/c1-4-6-10(3,7-8-11)13-9(12)5-2/h5,11H,2,4,6-8H2,1,3H3/q+1
InChIKeyANZUQTILNCDLMU-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium 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

ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
CID 174456645
trimethyl(prop-2-enoyloxy)azanium bromide
CID 163213351
formyl prop-2-enoate;2-hydroxyethyl(trimethyl)azanium;iodide
CID 174772231
formic acid;2-hydroxyethyl-methyl-dipropylazanium
CID 88813564
ethyl prop-2-enoate;sulfane
CID 157093783
1-aminopropyl prop-2-enoate;butane
CID 87190109
dimethyl-propan-2-yl-prop-2-enoyloxyazanium
CID 88724521
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669
dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
bis(hex-1-ene);2-hydroxyethyl prop-2-enoate
CID 87914321
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium?
The IUPAC name of 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium (CID 175241637) is 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium.
What is the SMILES notation for 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium?
The canonical SMILES for 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium is C=CC(=O)O[N+](C)(CCC)CCO.
What is the InChIKey of 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium?
The InChIKey is ANZUQTILNCDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3/c1-4-6-10(3,7-8-11)13-9(12)5-2/h5,11H,2,4,6-8H2,1,3H3/q+1.
What are the key properties of 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium?
2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium has a molecular weight of 188.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-methyl-prop-2-enoyloxy-propylazanium is sourced from PubChem (CID 175241637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).