indol-4-one

C8H5NO — CID 22392037

IUPACindol-4-one
SMILESO=C1C=CC=C2N=CC=C12
InChIInChI=1S/C8H5NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5H
InChIKeyKCKIKSJECTZLJA-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.02
Rot. Bonds

About indol-4-one

indol-4-one (PubChem CID 22392037) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is indol-4-one.

Molecular Properties

Compound Nameindol-4-one
PubChem CID22392037
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Nameindol-4-one
SMILESO=C1C=CC=C2N=CC=C12
InChIInChI=1S/C8H5NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5H
InChIKeyKCKIKSJECTZLJA-UHFFFAOYSA-N
XLogP1.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze indol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of indol-4-one?
The IUPAC name of indol-4-one (CID 22392037) is indol-4-one.
What is the SMILES notation for indol-4-one?
The canonical SMILES for indol-4-one is O=C1C=CC=C2N=CC=C12.
What is the InChIKey of indol-4-one?
The InChIKey is KCKIKSJECTZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5H.
What are the key properties of indol-4-one?
indol-4-one has a molecular weight of 131.13 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-4-one is sourced from PubChem (CID 22392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).