5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one

C14H19N3O2 — CID 61430219

IUPAC5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)COCCN1c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-14(2)8-19-4-3-17(14)12-7-11-9(5-10(12)15)6-13(18)16-11/h5,7H,3-4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyOTGBSTGKVORQSG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds1

About 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one

5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 61430219) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
PubChem CID61430219
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)COCCN1c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-14(2)8-19-4-3-17(14)12-7-11-9(5-10(12)15)6-13(18)16-11/h5,7H,3-4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyOTGBSTGKVORQSG-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one (CID 61430219) is 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one is CC1(C)COCCN1c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is OTGBSTGKVORQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2)8-19-4-3-17(14)12-7-11-9(5-10(12)15)6-13(18)16-11/h5,7H,3-4,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,3-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61430219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).