2-ethenyl-1-morpholin-4-ylbut-2-en-1-one

C10H15NO2 — CID 85271848

IUPAC2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
SMILESC=CC(=CC)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
InChIKeyDOMFNXQGLWQGDP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds2

About 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one

2-ethenyl-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 85271848) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
PubChem CID85271848
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
SMILESC=CC(=CC)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
InChIKeyDOMFNXQGLWQGDP-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one (CID 85271848) is 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one is C=CC(=CC)C(=O)N1CCOCC1.
What is the InChIKey of 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is DOMFNXQGLWQGDP-UHFFFAOYSA-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.
What are the key properties of 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one?
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 2-ethenyl-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 85271848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).