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

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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).