ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate

C11H18N2O4 — CID 83095427

IUPACethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate
SMILESCCOC(=O)/C=C/CN1CCOCC1C(N)=O
InChIInChI=1S/C11H18N2O4/c1-2-17-10(14)4-3-5-13-6-7-16-8-9(13)11(12)15/h3-4,9H,2,5-8H2,1H3,(H2,12,15)/b4-3+
InChIKeyINJULOAGVYKBSP-ONEGZZNKSA-N
MW242.27 g/mol
LogP-0.71
Rot. Bonds5

About ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate

ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate (PubChem CID 83095427) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate
PubChem CID83095427
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate
SMILESCCOC(=O)/C=C/CN1CCOCC1C(N)=O
InChIInChI=1S/C11H18N2O4/c1-2-17-10(14)4-3-5-13-6-7-16-8-9(13)11(12)15/h3-4,9H,2,5-8H2,1H3,(H2,12,15)/b4-3+
InChIKeyINJULOAGVYKBSP-ONEGZZNKSA-N
XLogP-0.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
CID 83092824
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
ethyl (E)-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoate
CID 80549488
ethyl (E)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 80549696
4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 83095808
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
ethyl (E)-4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)but-2-enoate
CID 80549116

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate?
The IUPAC name of ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate (CID 83095427) is ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate.
What is the SMILES notation for ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate?
The canonical SMILES for ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate is CCOC(=O)/C=C/CN1CCOCC1C(N)=O.
What is the InChIKey of ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate?
The InChIKey is INJULOAGVYKBSP-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-17-10(14)4-3-5-13-6-7-16-8-9(13)11(12)15/h3-4,9H,2,5-8H2,1H3,(H2,12,15)/b4-3+.
What are the key properties of ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate?
ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate has a molecular weight of 242.27 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate is sourced from PubChem (CID 83095427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).