4-tert-butylindol-2-one

C12H13NO — CID 20620204

IUPAC4-tert-butylindol-2-one
SMILESCC(C)(C)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C12H13NO/c1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10/h4-7H,1-3H3
InChIKeyDLJJAASAKSBXHE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.92
Rot. Bonds

About 4-tert-butylindol-2-one

4-tert-butylindol-2-one (PubChem CID 20620204) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-tert-butylindol-2-one.

Molecular Properties

Compound Name4-tert-butylindol-2-one
PubChem CID20620204
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-tert-butylindol-2-one
SMILESCC(C)(C)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C12H13NO/c1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10/h4-7H,1-3H3
InChIKeyDLJJAASAKSBXHE-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
4,7-Ditert-butylazepin-2-one
CID 10584976
3-Methyl-oxoindole
CID 21477845
5-Cyclohexylindol-2-one
CID 91754974
1,8a-Dimethyl-3-isoquinolinone
CID 129707541
7-Methylindol-2-one
CID 17804911
4-Ethenylindol-2-one
CID 20067246
7-Ethylindol-2-one
CID 20284804
4,7-Dimethylindol-2-one
CID 20284807
4-Propan-2-ylindol-2-one
CID 20698713
5-Methylindol-2-one
CID 21839581
3-Ethylindol-2-one
CID 21986279

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylindol-2-one?
The IUPAC name of 4-tert-butylindol-2-one (CID 20620204) is 4-tert-butylindol-2-one.
What is the SMILES notation for 4-tert-butylindol-2-one?
The canonical SMILES for 4-tert-butylindol-2-one is CC(C)(C)c1cccc2c1=CC(=O)N=2.
What is the InChIKey of 4-tert-butylindol-2-one?
The InChIKey is DLJJAASAKSBXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10/h4-7H,1-3H3.
What are the key properties of 4-tert-butylindol-2-one?
4-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 4-tert-butylindol-2-one is sourced from PubChem (CID 20620204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).