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

C10H19NO3 — CID 81204330

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
SMILESCCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C10H19NO3/c1-3-9(13)4-11-5-10(6-12)14-7-8(11)2/h8,10,12H,3-7H2,1-2H3
InChIKeyRFIUOTNHLCHZFT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.05
Rot. Bonds4

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

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one (PubChem CID 81204330) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
PubChem CID81204330
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
SMILESCCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C10H19NO3/c1-3-9(13)4-11-5-10(6-12)14-7-8(11)2/h8,10,12H,3-7H2,1-2H3
InChIKeyRFIUOTNHLCHZFT-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
CID 114495754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one (CID 81204330) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one is CCC(=O)CN1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one?
The InChIKey is RFIUOTNHLCHZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(13)4-11-5-10(6-12)14-7-8(11)2/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one is sourced from PubChem (CID 81204330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).