1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione

C16H20N2O3 — CID 81300850

IUPAC1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)(C)O1
InChIInChI=1S/C16H20N2O3/c1-10-8-18(9-16(2,3)21-10)11-5-6-12-13(7-11)17(4)15(20)14(12)19/h5-7,10H,8-9H2,1-4H3
InChIKeyYBOMNRSTBIRQDM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione

1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione (PubChem CID 81300850) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione
PubChem CID81300850
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)(C)O1
InChIInChI=1S/C16H20N2O3/c1-10-8-18(9-16(2,3)21-10)11-5-6-12-13(7-11)17(4)15(20)14(12)19/h5-7,10H,8-9H2,1-4H3
InChIKeyYBOMNRSTBIRQDM-UHFFFAOYSA-N
XLogP1.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione?
The IUPAC name of 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione (CID 81300850) is 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione?
The canonical SMILES for 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione is CC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CC(C)(C)O1.
What is the InChIKey of 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione?
The InChIKey is YBOMNRSTBIRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-8-18(9-16(2,3)21-10)11-5-6-12-13(7-11)17(4)15(20)14(12)19/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione?
1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2,2,6-trimethylmorpholin-4-yl)indole-2,3-dione is sourced from PubChem (CID 81300850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).