prop-2-enoate;triethyl(2-hydroxyethyl)azanium

C11H23NO3 — CID 87376254

IUPACprop-2-enoate;triethyl(2-hydroxyethyl)azanium
SMILESC=CC(=O)[O-].CC[N+](CC)(CC)CCO
InChIInChI=1S/C8H20NO.C3H4O2/c1-4-9(5-2,6-3)7-8-10;1-2-3(4)5/h10H,4-8H2,1-3H3;2H,1H2,(H,4,5)/q+1;/p-1
InChIKeyYTEKYDFBYNQPDK-UHFFFAOYSA-M
MW217.31 g/mol
LogP-0.22
Rot. Bonds6

About prop-2-enoate;triethyl(2-hydroxyethyl)azanium

prop-2-enoate;triethyl(2-hydroxyethyl)azanium (PubChem CID 87376254) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is prop-2-enoate;triethyl(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nameprop-2-enoate;triethyl(2-hydroxyethyl)azanium
PubChem CID87376254
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameprop-2-enoate;triethyl(2-hydroxyethyl)azanium
SMILESC=CC(=O)[O-].CC[N+](CC)(CC)CCO
InChIInChI=1S/C8H20NO.C3H4O2/c1-4-9(5-2,6-3)7-8-10;1-2-3(4)5/h10H,4-8H2,1-3H3;2H,1H2,(H,4,5)/q+1;/p-1
InChIKeyYTEKYDFBYNQPDK-UHFFFAOYSA-M
XLogP-0.22
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
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'}

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Related Compounds

Tris(2-hydroxyethyl)ammonium hydrogen maleate
CID 6451725
2-(Dimethylamino)ethanol;ethene;prop-2-enoic acid
CID 170063
Einecs 254-844-1
CID 171222
Prop-2-enoic acid--N,N-diethylethanamine (1/1)
CID 6453210
Choline methacrylate
CID 22481189
Prop-2-enoic acid--1,1',1''-nitrilotri(propan-2-ol) (1/1)
CID 44148051
1-(Dimethylamino)propan-2-ol;prop-2-enoic acid
CID 44151750
2-(Dimethylamino)-2-methylpropan-1-ol;prop-2-enoic acid
CID 44153862
Choline sorbate
CID 10125168
Choline maleate
CID 87376612
Acrylate phosphorylcholine
CID 138753426
2-[bis(2-hydroxyethyl)amino]ethanol;(E)-but-2-enedioic acid
CID 23431539

Frequently Asked Questions

What is the IUPAC name of prop-2-enoate;triethyl(2-hydroxyethyl)azanium?
The IUPAC name of prop-2-enoate;triethyl(2-hydroxyethyl)azanium (CID 87376254) is prop-2-enoate;triethyl(2-hydroxyethyl)azanium.
What is the SMILES notation for prop-2-enoate;triethyl(2-hydroxyethyl)azanium?
The canonical SMILES for prop-2-enoate;triethyl(2-hydroxyethyl)azanium is C=CC(=O)[O-].CC[N+](CC)(CC)CCO.
What is the InChIKey of prop-2-enoate;triethyl(2-hydroxyethyl)azanium?
The InChIKey is YTEKYDFBYNQPDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.C3H4O2/c1-4-9(5-2,6-3)7-8-10;1-2-3(4)5/h10H,4-8H2,1-3H3;2H,1H2,(H,4,5)/q+1;/p-1.
What are the key properties of prop-2-enoate;triethyl(2-hydroxyethyl)azanium?
prop-2-enoate;triethyl(2-hydroxyethyl)azanium has a molecular weight of 217.31 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 prop-2-enoate;triethyl(2-hydroxyethyl)azanium is sourced from PubChem (CID 87376254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).