ethyl (E)-3-morpholin-4-ylbut-2-enoate

C10H17NO3 — CID 2303301

IUPACethyl (E)-3-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyCENCNIGVANECFS-CMDGGOBGSA-N
MW199.25 g/mol
LogP0.79
Rot. Bonds3

About ethyl (E)-3-morpholin-4-ylbut-2-enoate

ethyl (E)-3-morpholin-4-ylbut-2-enoate (PubChem CID 2303301) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (E)-3-morpholin-4-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-morpholin-4-ylbut-2-enoate
PubChem CID2303301
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (E)-3-morpholin-4-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyCENCNIGVANECFS-CMDGGOBGSA-N
XLogP0.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.79
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)-3-morpholin-4-ylbut-2-enoate?
The IUPAC name of ethyl (E)-3-morpholin-4-ylbut-2-enoate (CID 2303301) is ethyl (E)-3-morpholin-4-ylbut-2-enoate.
What is the SMILES notation for ethyl (E)-3-morpholin-4-ylbut-2-enoate?
The canonical SMILES for ethyl (E)-3-morpholin-4-ylbut-2-enoate is CCOC(=O)/C=C(\C)N1CCOCC1.
What is the InChIKey of ethyl (E)-3-morpholin-4-ylbut-2-enoate?
The InChIKey is CENCNIGVANECFS-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(12)8-9(2)11-4-6-13-7-5-11/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-3-morpholin-4-ylbut-2-enoate?
ethyl (E)-3-morpholin-4-ylbut-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-morpholin-4-ylbut-2-enoate is sourced from PubChem (CID 2303301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).