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

C8H13NO2 — CID 5463262

IUPAC(E)-1-morpholin-4-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKeyQAVGKCMDOKZSBK-NSCUHMNNSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds1

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

(E)-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 5463262) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-ylbut-2-en-1-one
PubChem CID5463262
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-1-morpholin-4-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKeyQAVGKCMDOKZSBK-NSCUHMNNSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-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)-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-ylbut-2-en-1-one (CID 5463262) is (E)-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-ylbut-2-en-1-one is C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is QAVGKCMDOKZSBK-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-8(10)9-4-6-11-7-5-9/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-1-morpholin-4-ylbut-2-en-1-one?
(E)-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 5463262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).