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

C17H22N2O2 — CID 81301722

IUPAC6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(N3CCCC(C)(C)CC3)cc21
InChIInChI=1S/C17H22N2O2/c1-17(2)7-4-9-19(10-8-17)12-5-6-13-14(11-12)18(3)16(21)15(13)20/h5-6,11H,4,7-10H2,1-3H3
InChIKeyRKTQVMFYOFMYTJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.86
Rot. Bonds1

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

6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione (PubChem CID 81301722) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione
PubChem CID81301722
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(N3CCCC(C)(C)CC3)cc21
InChIInChI=1S/C17H22N2O2/c1-17(2)7-4-9-19(10-8-17)12-5-6-13-14(11-12)18(3)16(21)15(13)20/h5-6,11H,4,7-10H2,1-3H3
InChIKeyRKTQVMFYOFMYTJ-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-Methylisatin
CID 16358
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-Phenethylindoline-2,3-dione
CID 1894707
1-Dodecylindoline-2,3-dione
CID 1897797
1-(2-bromoethyl)-1H-indole-2,3-dione
CID 3542734
1-((E)-3-phenylprop-2-enyl)indole-2,3-dione
CID 2057118
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
5-Iodo-1-methylindoline-2,3-dione
CID 515949
1-(2-Oxo-2-phenyl-ethyl)-1H-indole-2,3-dione
CID 2054452
1-(3-phenylpropyl)-1H-indole-2,3-dione
CID 2282752

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione (CID 81301722) is 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2ccc(N3CCCC(C)(C)CC3)cc21.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione?
The InChIKey is RKTQVMFYOFMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)7-4-9-19(10-8-17)12-5-6-13-14(11-12)18(3)16(21)15(13)20/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione?
6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione is sourced from PubChem (CID 81301722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).