2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone

C13H23NO2 — CID 95157279

IUPAC2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1
InChIInChI=1S/C13H23NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyNEQDQLFXXVXBEL-QWRGUYRKSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds2

About 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone

2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone (PubChem CID 95157279) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
PubChem CID95157279
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1
InChIInChI=1S/C13H23NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyNEQDQLFXXVXBEL-QWRGUYRKSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 114459047
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79606856
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
CID 100569387
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
1-(2,5-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211391
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone (CID 95157279) is 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1.
What is the InChIKey of 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone?
The InChIKey is NEQDQLFXXVXBEL-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone?
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 95157279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).