(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one

C19H20N2O3 — CID 44578677

IUPAC(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C19H20N2O3/c22-18(5-3-15-2-1-7-20-13-15)16-4-6-19(23)17(12-16)14-21-8-10-24-11-9-21/h1-7,12-13,23H,8-11,14H2/b5-3+
InChIKeyLUBCWSZWXMUHRL-HWKANZROSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds5

About (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one

(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 44578677) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one
PubChem CID44578677
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C19H20N2O3/c22-18(5-3-15-2-1-7-20-13-15)16-4-6-19(23)17(12-16)14-21-8-10-24-11-9-21/h1-7,12-13,23H,8-11,14H2/b5-3+
InChIKeyLUBCWSZWXMUHRL-HWKANZROSA-N
XLogP2.52
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one (CID 44578677) is (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1ccc(O)c(CN2CCOCC2)c1.
What is the InChIKey of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is LUBCWSZWXMUHRL-HWKANZROSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(5-3-15-2-1-7-20-13-15)16-4-6-19(23)17(12-16)14-21-8-10-24-11-9-21/h1-7,12-13,23H,8-11,14H2/b5-3+.
What are the key properties of (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 44578677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).