1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one

C10H19NO4 — CID 107507511

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C10H19NO4/c1-8-6-15-10(5-12)4-11(8)3-9(13)7-14-2/h8,10,12H,3-7H2,1-2H3
InChIKeyVZQUDVNUNPOFEN-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.72
Rot. Bonds5

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one (PubChem CID 107507511) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
PubChem CID107507511
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C10H19NO4/c1-8-6-15-10(5-12)4-11(8)3-9(13)7-14-2/h8,10,12H,3-7H2,1-2H3
InChIKeyVZQUDVNUNPOFEN-UHFFFAOYSA-N
XLogP-0.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]propan-2-one
CID 81204259
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
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
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
CID 81219149
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 81219632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one (CID 107507511) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one is COCC(=O)CN1CC(CO)OCC1C.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one?
The InChIKey is VZQUDVNUNPOFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8-6-15-10(5-12)4-11(8)3-9(13)7-14-2/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one has a molecular weight of 217.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 107507511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).