diethyl 2-morpholin-4-ylbut-2-enedioate

C12H19NO5 — CID 54498414

IUPACdiethyl 2-morpholin-4-ylbut-2-enedioate
SMILESCCOC(=O)C=C(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h9H,3-8H2,1-2H3
InChIKeyYASYLXRPLZSZNJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.33
Rot. Bonds5

About diethyl 2-morpholin-4-ylbut-2-enedioate

diethyl 2-morpholin-4-ylbut-2-enedioate (PubChem CID 54498414) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is diethyl 2-morpholin-4-ylbut-2-enedioate.

Molecular Properties

Compound Namediethyl 2-morpholin-4-ylbut-2-enedioate
PubChem CID54498414
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namediethyl 2-morpholin-4-ylbut-2-enedioate
SMILESCCOC(=O)C=C(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h9H,3-8H2,1-2H3
InChIKeyYASYLXRPLZSZNJ-UHFFFAOYSA-N
XLogP0.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
diethyl (Z)-2-(2,5-dioxopyrrolidin-1-yl)but-2-enedioate
CID 11402949
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
1-O-ethyl 4-O-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl) (E)-but-2-enedioate
CID 122667400
(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 56965667
diethyl (Z)-2-[(E)-2-pyrrolidin-1-ylprop-1-enyl]but-2-enedioate
CID 164676347
4-O-ethyl 1-O-methyl (Z)-2-(2,5-dioxopyrrolidin-1-yl)but-2-enedioate
CID 155166236
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177

Frequently Asked Questions

What is the IUPAC name of diethyl 2-morpholin-4-ylbut-2-enedioate?
The IUPAC name of diethyl 2-morpholin-4-ylbut-2-enedioate (CID 54498414) is diethyl 2-morpholin-4-ylbut-2-enedioate.
What is the SMILES notation for diethyl 2-morpholin-4-ylbut-2-enedioate?
The canonical SMILES for diethyl 2-morpholin-4-ylbut-2-enedioate is CCOC(=O)C=C(C(=O)OCC)N1CCOCC1.
What is the InChIKey of diethyl 2-morpholin-4-ylbut-2-enedioate?
The InChIKey is YASYLXRPLZSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-17-11(14)9-10(12(15)18-4-2)13-5-7-16-8-6-13/h9H,3-8H2,1-2H3.
What are the key properties of diethyl 2-morpholin-4-ylbut-2-enedioate?
diethyl 2-morpholin-4-ylbut-2-enedioate has a molecular weight of 257.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-morpholin-4-ylbut-2-enedioate is sourced from PubChem (CID 54498414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).