6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione

C15H18N2O3 — CID 81308757

IUPAC6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)C(C)CO1
InChIInChI=1S/C15H18N2O3/c1-9-8-20-10(2)7-17(9)11-4-5-12-13(6-11)16(3)15(19)14(12)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMMEVRZAWMBUZQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds1

About 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione

6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione (PubChem CID 81308757) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
PubChem CID81308757
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)C(C)CO1
InChIInChI=1S/C15H18N2O3/c1-9-8-20-10(2)7-17(9)11-4-5-12-13(6-11)16(3)15(19)14(12)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMMEVRZAWMBUZQT-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The IUPAC name of 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione (CID 81308757) is 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione.
What is the SMILES notation for 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The canonical SMILES for 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione is CC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)C(C)CO1.
What is the InChIKey of 6-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
The InChIKey is MMEVRZAWMBUZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-8-20-10(2)7-17(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-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione?
6-(2,5-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-(2,5-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione is sourced from PubChem (CID 81308757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).