1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one

C12H23NO3 — CID 81208152

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-12(15)13-7-11(8-14)16-9-10(13)2/h10-11,14H,3-9H2,1-2H3
InChIKeyGFDYGCDCQWSZEX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one (PubChem CID 81208152) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
PubChem CID81208152
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
SMILESCCCCCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-12(15)13-7-11(8-14)16-9-10(13)2/h10-11,14H,3-9H2,1-2H3
InChIKeyGFDYGCDCQWSZEX-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81211868
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one (CID 81208152) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one is CCCCCC(=O)N1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one?
The InChIKey is GFDYGCDCQWSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-6-12(15)13-7-11(8-14)16-9-10(13)2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one is sourced from PubChem (CID 81208152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).