1,3-ditert-butyl-3H-indol-2-one

C16H23NO — CID 11368584

IUPAC1,3-ditert-butyl-3H-indol-2-one
SMILESCC(C)(C)C1C(=O)N(C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H23NO/c1-15(2,3)13-11-9-7-8-10-12(11)17(14(13)18)16(4,5)6/h7-10,13H,1-6H3
InChIKeyLLWJNCPPUABQHR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.96
Rot. Bonds

About 1,3-ditert-butyl-3H-indol-2-one

1,3-ditert-butyl-3H-indol-2-one (PubChem CID 11368584) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,3-ditert-butyl-3H-indol-2-one.

Molecular Properties

Compound Name1,3-ditert-butyl-3H-indol-2-one
PubChem CID11368584
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,3-ditert-butyl-3H-indol-2-one
SMILESCC(C)(C)C1C(=O)N(C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H23NO/c1-15(2,3)13-11-9-7-8-10-12(11)17(14(13)18)16(4,5)6/h7-10,13H,1-6H3
InChIKeyLLWJNCPPUABQHR-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-ditert-butyl-3H-indol-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

Related Compounds

3,5-ditert-butyl-1-methyl-1,5-benzodiazepine-2,4-dione
CID 23555173
1,3-ditert-butyl-3H-1,4-benzodiazepin-2-one
CID 23555163
1,3-ditert-butyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 23555190
N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide
CID 101413305
N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide
CID 102180680
1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
CID 12015253
14-tert-butyl-5-thia-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 155104515
2-tert-butylindene-1,3-dione
CID 10081566
(3aS,9bR)-2-tert-butyl-4,9b-dihydro-3aH-pyrrolo[3,4-c]isoquinoline-1,3,5-trione
CID 138964072
1,3-ditert-butylazepan-2-one;5,7-ditert-butyl-7H-benzo[d][1]benzazepin-6-one;1,3-ditert-butyl-4,5-dihydro-3H-1-benzazepin-2-one;1,3-ditert-butyl-5-methyl-3H-1,4-benzodiazepin-2-one;ethane;methane
CID 159589567
1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
3,4-ditert-butyl-1-methyl-3H-indol-2-one
CID 59210877

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-3H-indol-2-one?
The IUPAC name of 1,3-ditert-butyl-3H-indol-2-one (CID 11368584) is 1,3-ditert-butyl-3H-indol-2-one.
What is the SMILES notation for 1,3-ditert-butyl-3H-indol-2-one?
The canonical SMILES for 1,3-ditert-butyl-3H-indol-2-one is CC(C)(C)C1C(=O)N(C(C)(C)C)c2ccccc21.
What is the InChIKey of 1,3-ditert-butyl-3H-indol-2-one?
The InChIKey is LLWJNCPPUABQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2,3)13-11-9-7-8-10-12(11)17(14(13)18)16(4,5)6/h7-10,13H,1-6H3.
What are the key properties of 1,3-ditert-butyl-3H-indol-2-one?
1,3-ditert-butyl-3H-indol-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-3H-indol-2-one is sourced from PubChem (CID 11368584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).