(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one

C10H15NO2 — CID 10797480

IUPAC(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
SMILESC=C/C(=C\C)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-9(4-2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyDOMFNXQGLWQGDP-RUDMXATFSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds2

About (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one

(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 10797480) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
PubChem CID10797480
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
SMILESC=C/C(=C\C)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-9(4-2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyDOMFNXQGLWQGDP-RUDMXATFSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one 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 (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one (CID 10797480) is (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one is C=C/C(=C\C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is DOMFNXQGLWQGDP-RUDMXATFSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9(4-2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4+.
What are the key properties of (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 10797480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).