(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate

C10H15NO5 — CID 144930125

IUPAC(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
SMILESCCOC(=O)C=COC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-2-15-9(12)3-6-16-10(13)11-4-7-14-8-5-11/h3,6H,2,4-5,7-8H2,1H3
InChIKeyURFAFRLGLSYTBE-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.53
Rot. Bonds3

About (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate

(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate (PubChem CID 144930125) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
PubChem CID144930125
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
SMILESCCOC(=O)C=COC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-2-15-9(12)3-6-16-10(13)11-4-7-14-8-5-11/h3,6H,2,4-5,7-8H2,1H3
InChIKeyURFAFRLGLSYTBE-UHFFFAOYSA-N
XLogP0.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
1-O-ethyl 4-O-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl) (E)-but-2-enedioate
CID 122667400
diethyl 2-morpholin-4-ylbut-2-enedioate
CID 54498414
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
CID 144653695
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate?
The IUPAC name of (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate (CID 144930125) is (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate.
What is the SMILES notation for (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate?
The canonical SMILES for (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate is CCOC(=O)C=COC(=O)N1CCOCC1.
What is the InChIKey of (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate?
The InChIKey is URFAFRLGLSYTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-15-9(12)3-6-16-10(13)11-4-7-14-8-5-11/h3,6H,2,4-5,7-8H2,1H3.
What are the key properties of (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate?
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate is sourced from PubChem (CID 144930125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).