methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate

C15H19NO3 — CID 58155389

IUPACmethyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO3/c1-12(11-15(17)18-2)13-3-5-14(6-4-13)16-7-9-19-10-8-16/h3-6,11H,7-10H2,1-2H3/b12-11+
InChIKeyQNQMXLGLQFNRLS-VAWYXSNFSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds3

About methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate

methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate (PubChem CID 58155389) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
PubChem CID58155389
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO3/c1-12(11-15(17)18-2)13-3-5-14(6-4-13)16-7-9-19-10-8-16/h3-6,11H,7-10H2,1-2H3/b12-11+
InChIKeyQNQMXLGLQFNRLS-VAWYXSNFSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-[4-[(E)-hex-2-en-2-yl]phenyl]morpholine
CID 143867086
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
CID 110297163
methyl (E)-3-[3-[cyclohexanecarbonyl-[5-(4-morpholin-4-ylphenyl)pentyl]amino]phenyl]but-2-enoate
CID 155061976
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate?
The IUPAC name of methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate (CID 58155389) is methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate?
The canonical SMILES for methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate is COC(=O)/C=C(\C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate?
The InChIKey is QNQMXLGLQFNRLS-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(11-15(17)18-2)13-3-5-14(6-4-13)16-7-9-19-10-8-16/h3-6,11H,7-10H2,1-2H3/b12-11+.
What are the key properties of methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate?
methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate has a molecular weight of 261.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate is sourced from PubChem (CID 58155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).