6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione

C15H18N2O3 — CID 81309267

IUPAC6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)O1
InChIInChI=1S/C15H18N2O3/c1-9-7-17(8-10(2)20-9)11-4-5-12-13(6-11)16(3)15(19)14(12)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyDGEVWVTXOTVOPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds1

About 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione

6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione (PubChem CID 81309267) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
PubChem CID81309267
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)O1
InChIInChI=1S/C15H18N2O3/c1-9-7-17(8-10(2)20-9)11-4-5-12-13(6-11)16(3)15(19)14(12)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyDGEVWVTXOTVOPE-UHFFFAOYSA-N
XLogP1.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dihydroxypyrrolidin-1-yl)-1-methylindole-2,3-dione
CID 106669917
1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione
CID 81300850
6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione
CID 81309126
6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
CID 81308757
6-(4-ethylazepan-1-yl)-1-methylindole-2,3-dione
CID 81301421
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium
CID 143518807
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
1-methyl-6-(2-methyloxolan-3-yl)sulfanylindole-2,3-dione
CID 107750414
1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione
CID 82739706
1-[2-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114068730

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione (CID 81309267) is 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione is CC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The InChIKey is DGEVWVTXOTVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-17(8-10(2)20-9)11-4-5-12-13(6-11)16(3)15(19)14(12)18/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione is sourced from PubChem (CID 81309267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).