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

C14H17NO3 — CID 91689830

IUPACmethyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H17NO3/c1-17-14(16)7-4-12-2-5-13(6-3-12)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-4+
InChIKeyQMCWTYBHIKAPEP-QPJJXVBHSA-N
MW247.29 g/mol
LogP1.71
Rot. Bonds3

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

methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate (PubChem CID 91689830) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
PubChem CID91689830
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H17NO3/c1-17-14(16)7-4-12-2-5-13(6-3-12)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-4+
InChIKeyQMCWTYBHIKAPEP-QPJJXVBHSA-N
XLogP1.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.71
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

methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
CID 169479706
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
CID 58155389
methyl 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]prop-2-enoate
CID 56612867
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7954038
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate (CID 91689830) is methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The InChIKey is QMCWTYBHIKAPEP-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-14(16)7-4-12-2-5-13(6-3-12)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-4+.
What are the key properties of methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate has a molecular weight of 247.29 g/mol, XLogP of 1.71, 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)prop-2-enoate is sourced from PubChem (CID 91689830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).