1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone

C13H23NO4 — CID 81208543

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
SMILESCC1COC(CO)CN1C(=O)CC1CCCCO1
InChIInChI=1S/C13H23NO4/c1-10-9-18-12(8-15)7-14(10)13(16)6-11-4-2-3-5-17-11/h10-12,15H,2-9H2,1H3
InChIKeyHREWHOWIPPLAKF-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.55
Rot. Bonds3

About 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone (PubChem CID 81208543) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
PubChem CID81208543
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
SMILESCC1COC(CO)CN1C(=O)CC1CCCCO1
InChIInChI=1S/C13H23NO4/c1-10-9-18-12(8-15)7-14(10)13(16)6-11-4-2-3-5-17-11/h10-12,15H,2-9H2,1H3
InChIKeyHREWHOWIPPLAKF-UHFFFAOYSA-N
XLogP0.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 114459047
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone (CID 81208543) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone is CC1COC(CO)CN1C(=O)CC1CCCCO1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is HREWHOWIPPLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10-9-18-12(8-15)7-14(10)13(16)6-11-4-2-3-5-17-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 257.33 g/mol, XLogP of 0.55, 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]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 81208543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).