ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate

C11H19NO3 — CID 102474201

IUPACethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(/C)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-4-15-11(13)9(2)10(3)12-5-7-14-8-6-12/h4-8H2,1-3H3/b10-9-
InChIKeyDOBWUMVBEMMCBO-KTKRTIGZSA-N
MW213.28 g/mol
LogP1.18
Rot. Bonds3

About ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate

ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate (PubChem CID 102474201) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate
PubChem CID102474201
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(/C)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-4-15-11(13)9(2)10(3)12-5-7-14-8-6-12/h4-8H2,1-3H3/b10-9-
InChIKeyDOBWUMVBEMMCBO-KTKRTIGZSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.18
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 (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate?
The IUPAC name of ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate (CID 102474201) is ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate?
The canonical SMILES for ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate is CCOC(=O)/C(C)=C(/C)N1CCOCC1.
What is the InChIKey of ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate?
The InChIKey is DOBWUMVBEMMCBO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-11(13)9(2)10(3)12-5-7-14-8-6-12/h4-8H2,1-3H3/b10-9-.
What are the key properties of ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate?
ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methyl-3-morpholin-4-ylbut-2-enoate is sourced from PubChem (CID 102474201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).