ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate

C11H19NO3 — CID 11481293

IUPACethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C(C)=C/CN1CCOCC1
InChIInChI=1S/C11H19NO3/c1-3-15-11(13)10(2)4-5-12-6-8-14-9-7-12/h4H,3,5-9H2,1-2H3/b10-4+
InChIKeyIZCSZYVTVSKSLT-ONNFQVAWSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds4

About ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate

ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate (PubChem CID 11481293) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate
PubChem CID11481293
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C(C)=C/CN1CCOCC1
InChIInChI=1S/C11H19NO3/c1-3-15-11(13)10(2)4-5-12-6-8-14-9-7-12/h4H,3,5-9H2,1-2H3/b10-4+
InChIKeyIZCSZYVTVSKSLT-ONNFQVAWSA-N
XLogP0.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate (CID 11481293) is ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate is CCOC(=O)/C(C)=C/CN1CCOCC1.
What is the InChIKey of ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate?
The InChIKey is IZCSZYVTVSKSLT-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(13)10(2)4-5-12-6-8-14-9-7-12/h4H,3,5-9H2,1-2H3/b10-4+.
What are the key properties of ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate?
ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate is sourced from PubChem (CID 11481293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).