4-benzyl-6,6-dimethylmorpholine-2,5-dione

C13H15NO3 — CID 24809732

IUPAC4-benzyl-6,6-dimethylmorpholine-2,5-dione
SMILESCC1(C)OC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c1-13(2)12(16)14(9-11(15)17-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyQQGVBODBQKJKTJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds2

About 4-benzyl-6,6-dimethylmorpholine-2,5-dione

4-benzyl-6,6-dimethylmorpholine-2,5-dione (PubChem CID 24809732) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-benzyl-6,6-dimethylmorpholine-2,5-dione.

Molecular Properties

Compound Name4-benzyl-6,6-dimethylmorpholine-2,5-dione
PubChem CID24809732
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-benzyl-6,6-dimethylmorpholine-2,5-dione
SMILESCC1(C)OC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c1-13(2)12(16)14(9-11(15)17-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyQQGVBODBQKJKTJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6,6-dimethylmorpholine-2,5-dione?
The IUPAC name of 4-benzyl-6,6-dimethylmorpholine-2,5-dione (CID 24809732) is 4-benzyl-6,6-dimethylmorpholine-2,5-dione.
What is the SMILES notation for 4-benzyl-6,6-dimethylmorpholine-2,5-dione?
The canonical SMILES for 4-benzyl-6,6-dimethylmorpholine-2,5-dione is CC1(C)OC(=O)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-6,6-dimethylmorpholine-2,5-dione?
The InChIKey is QQGVBODBQKJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)12(16)14(9-11(15)17-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-benzyl-6,6-dimethylmorpholine-2,5-dione?
4-benzyl-6,6-dimethylmorpholine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6,6-dimethylmorpholine-2,5-dione is sourced from PubChem (CID 24809732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).