2-morpholin-4-ylbut-2-enamide

C8H14N2O2 — CID 54468692

IUPAC2-morpholin-4-ylbut-2-enamide
SMILESCC=C(C(N)=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-7(8(9)11)10-3-5-12-6-4-10/h2H,3-6H2,1H3,(H2,9,11)
InChIKeyXGTVJMBLIAMZDH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.29
Rot. Bonds2

About 2-morpholin-4-ylbut-2-enamide

2-morpholin-4-ylbut-2-enamide (PubChem CID 54468692) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name2-morpholin-4-ylbut-2-enamide
PubChem CID54468692
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-morpholin-4-ylbut-2-enamide
SMILESCC=C(C(N)=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-7(8(9)11)10-3-5-12-6-4-10/h2H,3-6H2,1H3,(H2,9,11)
InChIKeyXGTVJMBLIAMZDH-UHFFFAOYSA-N
XLogP-0.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrrole-2,5-dione, 1-methyl-3-(4-morpholinyl)-
CID 5302612
3-Morpholinocrotonamide
CID 70579814
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
2-Morpholin-4-ylprop-2-enamide
CID 18409989
(E)-2-morpholin-4-ylpent-2-enamide
CID 21536819
(E)-2-morpholin-4-ylhex-2-enamide
CID 21536825
N-ethyl-2-morpholin-4-ylprop-2-enamide
CID 53756642
(E)-2-isocyano-1-morpholin-4-ylbut-2-en-1-one
CID 59812210
2-Morpholin-4-ylpent-2-enamide
CID 68839562
3-Morpholin-4-ylbut-2-enamide
CID 70579815
(Z)-2-morpholin-4-ylpent-2-enamide
CID 90151801
N,N-dimethyl-2-morpholin-4-ylpent-2-enamide
CID 123633625

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbut-2-enamide?
The IUPAC name of 2-morpholin-4-ylbut-2-enamide (CID 54468692) is 2-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for 2-morpholin-4-ylbut-2-enamide?
The canonical SMILES for 2-morpholin-4-ylbut-2-enamide is CC=C(C(N)=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylbut-2-enamide?
The InChIKey is XGTVJMBLIAMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-7(8(9)11)10-3-5-12-6-4-10/h2H,3-6H2,1H3,(H2,9,11).
What are the key properties of 2-morpholin-4-ylbut-2-enamide?
2-morpholin-4-ylbut-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 54468692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).