4-benzyl-2,5-dimethylmorpholin-3-one

C13H17NO2 — CID 123662409

IUPAC4-benzyl-2,5-dimethylmorpholin-3-one
SMILESCC1OCC(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10-9-16-11(2)13(15)14(10)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJYWHBWXZKCRTDC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds2

About 4-benzyl-2,5-dimethylmorpholin-3-one

4-benzyl-2,5-dimethylmorpholin-3-one (PubChem CID 123662409) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-benzyl-2,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2,5-dimethylmorpholin-3-one
PubChem CID123662409
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-benzyl-2,5-dimethylmorpholin-3-one
SMILESCC1OCC(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10-9-16-11(2)13(15)14(10)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJYWHBWXZKCRTDC-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2,5-dimethylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5-dimethylmorpholin-3-one?
The IUPAC name of 4-benzyl-2,5-dimethylmorpholin-3-one (CID 123662409) is 4-benzyl-2,5-dimethylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-2,5-dimethylmorpholin-3-one?
The canonical SMILES for 4-benzyl-2,5-dimethylmorpholin-3-one is CC1OCC(C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2,5-dimethylmorpholin-3-one?
The InChIKey is JYWHBWXZKCRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-9-16-11(2)13(15)14(10)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-benzyl-2,5-dimethylmorpholin-3-one?
4-benzyl-2,5-dimethylmorpholin-3-one has a molecular weight of 219.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,5-dimethylmorpholin-3-one is sourced from PubChem (CID 123662409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).