4-propan-2-ylindol-2-one

C11H11NO — CID 20698713

IUPAC4-propan-2-ylindol-2-one
SMILESCC(C)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C11H11NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-7H,1-2H3
InChIKeyWNBATDARXUBARX-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.75
Rot. Bonds1

About 4-propan-2-ylindol-2-one

4-propan-2-ylindol-2-one (PubChem CID 20698713) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-propan-2-ylindol-2-one.

Molecular Properties

Compound Name4-propan-2-ylindol-2-one
PubChem CID20698713
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name4-propan-2-ylindol-2-one
SMILESCC(C)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C11H11NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-7H,1-2H3
InChIKeyWNBATDARXUBARX-UHFFFAOYSA-N
XLogP0.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylindol-2-one?
The IUPAC name of 4-propan-2-ylindol-2-one (CID 20698713) is 4-propan-2-ylindol-2-one.
What is the SMILES notation for 4-propan-2-ylindol-2-one?
The canonical SMILES for 4-propan-2-ylindol-2-one is CC(C)c1cccc2c1=CC(=O)N=2.
What is the InChIKey of 4-propan-2-ylindol-2-one?
The InChIKey is WNBATDARXUBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-7H,1-2H3.
What are the key properties of 4-propan-2-ylindol-2-one?
4-propan-2-ylindol-2-one has a molecular weight of 173.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylindol-2-one is sourced from PubChem (CID 20698713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).