2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione

C15H18N2O3 — CID 2825914

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione
SMILESCC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3
InChIKeyYPRUCGBHEMKYKZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds2

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione

2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione (PubChem CID 2825914) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione
PubChem CID2825914
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione
SMILESCC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3
InChIKeyYPRUCGBHEMKYKZ-UHFFFAOYSA-N
XLogP1.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione (CID 2825914) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione is CC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is YPRUCGBHEMKYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione?
2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2825914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).