5-propylindol-2-one

C11H11NO — CID 23212396

IUPAC5-propylindol-2-one
SMILESCCCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H11NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h4-7H,2-3H2,1H3
InChIKeyCHRAYQBERAEZGM-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.58
Rot. Bonds2

About 5-propylindol-2-one

5-propylindol-2-one (PubChem CID 23212396) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-propylindol-2-one.

Molecular Properties

Compound Name5-propylindol-2-one
PubChem CID23212396
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-propylindol-2-one
SMILESCCCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H11NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h4-7H,2-3H2,1H3
InChIKeyCHRAYQBERAEZGM-UHFFFAOYSA-N
XLogP0.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-propylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
5-Bromoindol-2-one
CID 46739842
6-Chloroindole-2-one
CID 46739848
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
Indolone-1-oxide
CID 21665805
Cyclopenta-(b)-pyridinone
CID 129707027
3-(Trifluoromethyl)indol-2-one
CID 19417810

Frequently Asked Questions

What is the IUPAC name of 5-propylindol-2-one?
The IUPAC name of 5-propylindol-2-one (CID 23212396) is 5-propylindol-2-one.
What is the SMILES notation for 5-propylindol-2-one?
The canonical SMILES for 5-propylindol-2-one is CCCc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-propylindol-2-one?
The InChIKey is CHRAYQBERAEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h4-7H,2-3H2,1H3.
What are the key properties of 5-propylindol-2-one?
5-propylindol-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylindol-2-one is sourced from PubChem (CID 23212396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).