1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one

C10H15NO3 — CID 107989722

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
SMILESCC#CC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H15NO3/c1-3-4-10(13)11-5-8(2)14-9(6-11)7-12/h8-9,12H,5-7H2,1-2H3
InChIKeyWPSFZRLFLKHZLP-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.38
Rot. Bonds1

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one (PubChem CID 107989722) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
PubChem CID107989722
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
SMILESCC#CC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H15NO3/c1-3-4-10(13)11-5-8(2)14-9(6-11)7-12/h8-9,12H,5-7H2,1-2H3
InChIKeyWPSFZRLFLKHZLP-UHFFFAOYSA-N
XLogP-0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 102932402
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one (CID 107989722) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one is CC#CC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one?
The InChIKey is WPSFZRLFLKHZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-10(13)11-5-8(2)14-9(6-11)7-12/h8-9,12H,5-7H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one has a molecular weight of 197.23 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one is sourced from PubChem (CID 107989722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).