diethyl(2-prop-2-enoyloxyethyl)azanium

C9H18NO2+ — CID 18325577

IUPACdiethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[NH+](CC)CC
InChIInChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3/p+1
InChIKeyQHVBLSNVXDSMEB-UHFFFAOYSA-O
MW172.25 g/mol
LogP-0.36
Rot. Bonds6

About diethyl(2-prop-2-enoyloxyethyl)azanium

diethyl(2-prop-2-enoyloxyethyl)azanium (PubChem CID 18325577) has the molecular formula C9H18NO2+ and a molecular weight of 172.25 g/mol. Its IUPAC name is diethyl(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namediethyl(2-prop-2-enoyloxyethyl)azanium
PubChem CID18325577
Molecular FormulaC9H18NO2+
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Namediethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[NH+](CC)CC
InChIInChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3/p+1
InChIKeyQHVBLSNVXDSMEB-UHFFFAOYSA-O
XLogP-0.36
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethyl(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 diethyl(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of diethyl(2-prop-2-enoyloxyethyl)azanium (CID 18325577) is diethyl(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for diethyl(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for diethyl(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[NH+](CC)CC.
What is the InChIKey of diethyl(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is QHVBLSNVXDSMEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3/p+1.
What are the key properties of diethyl(2-prop-2-enoyloxyethyl)azanium?
diethyl(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 172.25 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 18325577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).