[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate

C12H19NO5 — CID 90246476

IUPAC[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate
SMILESCCOC(=O)/C=C\[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(14)5-4-10(2)18-12(15)13-6-8-16-9-7-13/h4-5,10H,3,6-9H2,1-2H3/b5-4-/t10-/m0/s1
InChIKeyCXVOOXLTDWOVMP-LWTINBJPSA-N
MW257.29 g/mol
LogP0.96
Rot. Bonds4

About [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate

[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate (PubChem CID 90246476) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate
PubChem CID90246476
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate
SMILESCCOC(=O)/C=C\[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(14)5-4-10(2)18-12(15)13-6-8-16-9-7-13/h4-5,10H,3,6-9H2,1-2H3/b5-4-/t10-/m0/s1
InChIKeyCXVOOXLTDWOVMP-LWTINBJPSA-N
XLogP0.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate (CID 90246476) is [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate is CCOC(=O)/C=C\[C@H](C)OC(=O)N1CCOCC1.
What is the InChIKey of [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate?
The InChIKey is CXVOOXLTDWOVMP-LWTINBJPSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-17-11(14)5-4-10(2)18-12(15)13-6-8-16-9-7-13/h4-5,10H,3,6-9H2,1-2H3/b5-4-/t10-/m0/s1.
What are the key properties of [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate?
[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 90246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).