ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate

C15H19NO3 — CID 134129593

IUPACethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(17)8-5-13-3-6-14(7-4-13)16-9-11-18-12-10-16/h3-8H,2,9-12H2,1H3
InChIKeyYSUZMYKKXLWLOA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds4

About ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate

ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate (PubChem CID 134129593) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
PubChem CID134129593
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(17)8-5-13-3-6-14(7-4-13)16-9-11-18-12-10-16/h3-8H,2,9-12H2,1H3
InChIKeyYSUZMYKKXLWLOA-UHFFFAOYSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
ethyl 3,5-dimethyl-4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate
CID 9211611
ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 169480918
ethyl (E)-3-(4-pyrrol-1-ylphenyl)prop-2-enoate
CID 18923354
ethyl (E)-3-[4-[[4-(4-hydroxyphenyl)piperazine-1-carbonyl]amino]phenyl]prop-2-enoate
CID 47040204
ethyl 3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenyl]prop-2-enoate
CID 86674531
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 141319024
ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate (CID 134129593) is ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The InChIKey is YSUZMYKKXLWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(17)8-5-13-3-6-14(7-4-13)16-9-11-18-12-10-16/h3-8H,2,9-12H2,1H3.
What are the key properties of ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate?
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate has a molecular weight of 261.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate is sourced from PubChem (CID 134129593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).