indol-5-one

C8H5NO — CID 21494587

IUPACindol-5-one
SMILESO=C1C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5H
InChIKeyCHCVONSEJKYYBG-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.02
Rot. Bonds

About indol-5-one

indol-5-one (PubChem CID 21494587) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is indol-5-one.

Molecular Properties

Compound Nameindol-5-one
PubChem CID21494587
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Nameindol-5-one
SMILESO=C1C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5H
InChIKeyCHCVONSEJKYYBG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indol-5-one?
The IUPAC name of indol-5-one (CID 21494587) is indol-5-one.
What is the SMILES notation for indol-5-one?
The canonical SMILES for indol-5-one is O=C1C=CC2=NC=CC2=C1.
What is the InChIKey of indol-5-one?
The InChIKey is CHCVONSEJKYYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5H.
What are the key properties of indol-5-one?
indol-5-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-5-one is sourced from PubChem (CID 21494587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).