(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one

C14H18N2O3 — CID 81218755

IUPAC(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCC1COC(CO)CN1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H18N2O3/c1-11-10-19-13(9-17)8-16(11)14(18)5-4-12-3-2-6-15-7-12/h2-7,11,13,17H,8-10H2,1H3/b5-4+
InChIKeyYCAGCQLNXXYMTG-SNAWJCMRSA-N
MW262.31 g/mol
LogP0.70
Rot. Bonds3

About (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one

(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 81218755) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
PubChem CID81218755
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCC1COC(CO)CN1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H18N2O3/c1-11-10-19-13(9-17)8-16(11)14(18)5-4-12-3-2-6-15-7-12/h2-7,11,13,17H,8-10H2,1H3/b5-4+
InChIKeyYCAGCQLNXXYMTG-SNAWJCMRSA-N
XLogP0.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122162081
1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 71993670
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290
2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 106741747
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093
(E)-1-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 95380663
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
(E)-3-(3-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342885

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one (CID 81218755) is (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one is CC1COC(CO)CN1C(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is YCAGCQLNXXYMTG-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11-10-19-13(9-17)8-16(11)14(18)5-4-12-3-2-6-15-7-12/h2-7,11,13,17H,8-10H2,1H3/b5-4+.
What are the key properties of (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 262.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 81218755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).