(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid

C13H15NO3 — CID 888515

IUPAC(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15NO3/c15-13(16)6-3-11-1-4-12(5-2-11)14-7-9-17-10-8-14/h1-6H,7-10H2,(H,15,16)/b6-3+
InChIKeyPTIOADUSEPAKPX-ZZXKWVIFSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds3

About (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid

(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid (PubChem CID 888515) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid
PubChem CID888515
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H15NO3/c15-13(16)6-3-11-1-4-12(5-2-11)14-7-9-17-10-8-14/h1-6H,7-10H2,(H,15,16)/b6-3+
InChIKeyPTIOADUSEPAKPX-ZZXKWVIFSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(p-Tolyl)morpholine
CID 766255
ethyl (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoate
CID 794523
(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 8272191
(E)-3-[4-[(E)-1-(4-morpholin-4-ylphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 86271185
4-(Dimethylamino)cinnamic acid
CID 73778
p-(Dimethylamino)cinnamic acid
CID 1540638
Ethyl 3-(4-(dimethylamino)phenyl)acrylate
CID 5376237
Methyl 4-(dimethylamino)cinnamate
CID 6440195
5-Hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
CID 13130143
2-Cyano-3-[4-(4-morpholinyl)phenyl]acrylamide
CID 874091
(Z)-ethyl 2-cyano-3-(4-morpholinophenyl)acrylate
CID 2129548
2-[Ethyl(3-methylphenyl)amino]ethyl acetate
CID 119964

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid (CID 888515) is (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid?
The InChIKey is PTIOADUSEPAKPX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(16)6-3-11-1-4-12(5-2-11)14-7-9-17-10-8-14/h1-6H,7-10H2,(H,15,16)/b6-3+.
What are the key properties of (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid?
(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).