6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C13H21NO3 — CID 102934154

IUPAC6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2C3CCCC32)CC(CO)O1
InChIInChI=1S/C13H21NO3/c1-8-5-14(6-9(7-15)17-8)13(16)12-10-3-2-4-11(10)12/h8-12,15H,2-7H2,1H3
InChIKeyZIJLFOUIQPYUKH-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.64
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934154) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934154
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2C3CCCC32)CC(CO)O1
InChIInChI=1S/C13H21NO3/c1-8-5-14(6-9(7-15)17-8)13(16)12-10-3-2-4-11(10)12/h8-12,15H,2-7H2,1H3
InChIKeyZIJLFOUIQPYUKH-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 102938291
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
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-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-2-yl)methanone
CID 102933001
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102934496
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 102933740

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934154) is 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)C2C3CCCC32)CC(CO)O1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is ZIJLFOUIQPYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-5-14(6-9(7-15)17-8)13(16)12-10-3-2-4-11(10)12/h8-12,15H,2-7H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 239.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).