6-tert-butylindol-2-one

C12H13NO — CID 141490035

IUPAC6-tert-butylindol-2-one
SMILESCC(C)(C)c1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C12H13NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-7H,1-3H3
InChIKeyXPRUHHFWVOMCRQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.92
Rot. Bonds

About 6-tert-butylindol-2-one

6-tert-butylindol-2-one (PubChem CID 141490035) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-tert-butylindol-2-one.

Molecular Properties

Compound Name6-tert-butylindol-2-one
PubChem CID141490035
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-tert-butylindol-2-one
SMILESCC(C)(C)c1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C12H13NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-7H,1-3H3
InChIKeyXPRUHHFWVOMCRQ-UHFFFAOYSA-N
XLogP0.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
6-Chloroindole-2-one
CID 46739848
4,7-Ditert-butylazepin-2-one
CID 10584976
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
Cyclopenta-(b)-pyridinone
CID 129707027
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
5-Fluoro-2-oxo-indole
CID 46739847
7-Fluoroindol-2-one
CID 46739858

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylindol-2-one?
The IUPAC name of 6-tert-butylindol-2-one (CID 141490035) is 6-tert-butylindol-2-one.
What is the SMILES notation for 6-tert-butylindol-2-one?
The canonical SMILES for 6-tert-butylindol-2-one is CC(C)(C)c1ccc2c(c1)=NC(=O)C=2.
What is the InChIKey of 6-tert-butylindol-2-one?
The InChIKey is XPRUHHFWVOMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-7H,1-3H3.
What are the key properties of 6-tert-butylindol-2-one?
6-tert-butylindol-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylindol-2-one is sourced from PubChem (CID 141490035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).