[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C14H23NO4 — CID 136535694

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1CN(C(=O)C2(C)CC3CCC2O3)CC(CO)O1
InChIInChI=1S/C14H23NO4/c1-9-6-15(7-11(8-16)18-9)13(17)14(2)5-10-3-4-12(14)19-10/h9-12,16H,3-8H2,1-2H3
InChIKeyHALWNWURTKYHKL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.55
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 136535694) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID136535694
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1CN(C(=O)C2(C)CC3CCC2O3)CC(CO)O1
InChIInChI=1S/C14H23NO4/c1-9-6-15(7-11(8-16)18-9)13(17)14(2)5-10-3-4-12(14)19-10/h9-12,16H,3-8H2,1-2H3
InChIKeyHALWNWURTKYHKL-UHFFFAOYSA-N
XLogP0.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone with MolForge

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Related Compounds

(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 102932402
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
CID 102937471
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 136535694) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone is CC1CN(C(=O)C2(C)CC3CCC2O3)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is HALWNWURTKYHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-6-15(7-11(8-16)18-9)13(17)14(2)5-10-3-4-12(14)19-10/h9-12,16H,3-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 136535694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).