5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one

C13H18N2O3 — CID 82218404

IUPAC5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one
SMILESC=CCn1cc(O)c(=O)cc1CN1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-2-3-15-10-13(17)12(16)8-11(15)9-14-4-6-18-7-5-14/h2,8,10,17H,1,3-7,9H2
InChIKeyLNJRKDVCPKSJOE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds4

About 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one

5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one (PubChem CID 82218404) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one
PubChem CID82218404
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one
SMILESC=CCn1cc(O)c(=O)cc1CN1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-2-3-15-10-13(17)12(16)8-11(15)9-14-4-6-18-7-5-14/h2,8,10,17H,1,3-7,9H2
InChIKeyLNJRKDVCPKSJOE-UHFFFAOYSA-N
XLogP0.57
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-(2-hydroxypropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218215
1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961024
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961030
1-cyclooctyl-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960120
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82218489
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
2-(1-fluoroethyl)-5-hydroxy-1-prop-2-enylpyridin-4-one
CID 59818302
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one (CID 82218404) is 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one is C=CCn1cc(O)c(=O)cc1CN1CCOCC1.
What is the InChIKey of 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one?
The InChIKey is LNJRKDVCPKSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-15-10-13(17)12(16)8-11(15)9-14-4-6-18-7-5-14/h2,8,10,17H,1,3-7,9H2.
What are the key properties of 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one?
5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one has a molecular weight of 250.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 82218404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).