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

C9H17NO3 — CID 81204259

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
SMILESCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C9H17NO3/c1-7-6-13-9(5-11)4-10(7)3-8(2)12/h7,9,11H,3-6H2,1-2H3
InChIKeyLEBJVCJAVISTSZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.34
Rot. Bonds3

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

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one (PubChem CID 81204259) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
PubChem CID81204259
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
SMILESCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C9H17NO3/c1-7-6-13-9(5-11)4-10(7)3-8(2)12/h7,9,11H,3-6H2,1-2H3
InChIKeyLEBJVCJAVISTSZ-UHFFFAOYSA-N
XLogP-0.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 81204408
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one (CID 81204259) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one is CC(=O)CN1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one?
The InChIKey is LEBJVCJAVISTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-6-13-9(5-11)4-10(7)3-8(2)12/h7,9,11H,3-6H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.34, 3 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]propan-2-one is sourced from PubChem (CID 81204259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).