indol-3-one

C8H5NO — CID 11355497

IUPACindol-3-one
SMILESO=C1C=Nc2ccccc21
InChIInChI=1S/C8H5NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5H
InChIKeyFGFUBBNNYLNVLJ-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.59
Rot. Bonds

About indol-3-one

indol-3-one (PubChem CID 11355497) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is indol-3-one.

Molecular Properties

Compound Nameindol-3-one
PubChem CID11355497
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Nameindol-3-one
SMILESO=C1C=Nc2ccccc21
InChIInChI=1S/C8H5NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5H
InChIKeyFGFUBBNNYLNVLJ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indol-3-one?
The IUPAC name of indol-3-one (CID 11355497) is indol-3-one.
What is the SMILES notation for indol-3-one?
The canonical SMILES for indol-3-one is O=C1C=Nc2ccccc21.
What is the InChIKey of indol-3-one?
The InChIKey is FGFUBBNNYLNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5H.
What are the key properties of indol-3-one?
indol-3-one has a molecular weight of 131.13 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-3-one is sourced from PubChem (CID 11355497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).