but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one

C11H15NO6 — CID 158662750

IUPACbut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyICYQCZLLJIGVRN-UHFFFAOYSA-N
MW257.24 g/mol
LogP-0.26
Rot. Bonds3

About but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one

but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one (PubChem CID 158662750) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Namebut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
PubChem CID158662750
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Namebut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyICYQCZLLJIGVRN-UHFFFAOYSA-N
XLogP-0.26
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-2-enedioic acid;1-morpholin-4-ylprop-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 but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one (CID 158662750) is but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one is C=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is ICYQCZLLJIGVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 257.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 158662750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).