1-morpholin-4-ylbut-3-en-1-one

C8H13NO2 — CID 11480569

IUPAC1-morpholin-4-ylbut-3-en-1-one
SMILESC=CCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2H,1,3-7H2
InChIKeyJOSOWUCOGGCEGQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds2

About 1-morpholin-4-ylbut-3-en-1-one

1-morpholin-4-ylbut-3-en-1-one (PubChem CID 11480569) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-morpholin-4-ylbut-3-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-ylbut-3-en-1-one
PubChem CID11480569
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-morpholin-4-ylbut-3-en-1-one
SMILESC=CCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2H,1,3-7H2
InChIKeyJOSOWUCOGGCEGQ-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-ylbut-3-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 1-morpholin-4-ylbut-3-en-1-one?
The IUPAC name of 1-morpholin-4-ylbut-3-en-1-one (CID 11480569) is 1-morpholin-4-ylbut-3-en-1-one.
What is the SMILES notation for 1-morpholin-4-ylbut-3-en-1-one?
The canonical SMILES for 1-morpholin-4-ylbut-3-en-1-one is C=CCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylbut-3-en-1-one?
The InChIKey is JOSOWUCOGGCEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2H,1,3-7H2.
What are the key properties of 1-morpholin-4-ylbut-3-en-1-one?
1-morpholin-4-ylbut-3-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylbut-3-en-1-one is sourced from PubChem (CID 11480569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).