2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one

C12H15NO2 — CID 146437699

IUPAC2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one
SMILESCC(C)(C)C1=NC2=C(C1)C(=O)C(O)C=C2
InChIInChI=1S/C12H15NO2/c1-12(2,3)10-6-7-8(13-10)4-5-9(14)11(7)15/h4-5,9,14H,6H2,1-3H3
InChIKeySWDJSGQMCXGUIU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.63
Rot. Bonds

About 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one

2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one (PubChem CID 146437699) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one
PubChem CID146437699
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one
SMILESCC(C)(C)C1=NC2=C(C1)C(=O)C(O)C=C2
InChIInChI=1S/C12H15NO2/c1-12(2,3)10-6-7-8(13-10)4-5-9(14)11(7)15/h4-5,9,14H,6H2,1-3H3
InChIKeySWDJSGQMCXGUIU-UHFFFAOYSA-N
XLogP1.63
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one?
The IUPAC name of 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one (CID 146437699) is 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one.
What is the SMILES notation for 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one?
The canonical SMILES for 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one is CC(C)(C)C1=NC2=C(C1)C(=O)C(O)C=C2.
What is the InChIKey of 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one?
The InChIKey is SWDJSGQMCXGUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)10-6-7-8(13-10)4-5-9(14)11(7)15/h4-5,9,14H,6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one?
2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hydroxy-3,5-dihydroindol-4-one is sourced from PubChem (CID 146437699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).