[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone

C11H19NO4 — CID 81208731

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1COC(CO)CN1C(=O)C1CCCO1
InChIInChI=1S/C11H19NO4/c1-8-7-16-9(6-13)5-12(8)11(14)10-3-2-4-15-10/h8-10,13H,2-7H2,1H3
InChIKeyBOVACFOOBROZJB-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.23
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone (PubChem CID 81208731) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
PubChem CID81208731
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1COC(CO)CN1C(=O)C1CCCO1
InChIInChI=1S/C11H19NO4/c1-8-7-16-9(6-13)5-12(8)11(14)10-3-2-4-15-10/h8-10,13H,2-7H2,1H3
InChIKeyBOVACFOOBROZJB-UHFFFAOYSA-N
XLogP-0.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213770
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone (CID 81208731) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone is CC1COC(CO)CN1C(=O)C1CCCO1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The InChIKey is BOVACFOOBROZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-7-16-9(6-13)5-12(8)11(14)10-3-2-4-15-10/h8-10,13H,2-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 81208731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).