indol-7-one

C8H5NO — CID 18376413

IUPACindol-7-one
SMILESO=C1C=CC=C2C=CN=C12
InChIInChI=1S/C8H5NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5H
InChIKeyUVDGWJRJTOCJTR-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.02
Rot. Bonds

About indol-7-one

indol-7-one (PubChem CID 18376413) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is indol-7-one.

Molecular Properties

Compound Nameindol-7-one
PubChem CID18376413
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Nameindol-7-one
SMILESO=C1C=CC=C2C=CN=C12
InChIInChI=1S/C8H5NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5H
InChIKeyUVDGWJRJTOCJTR-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_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indol-7-one?
The IUPAC name of indol-7-one (CID 18376413) is indol-7-one.
What is the SMILES notation for indol-7-one?
The canonical SMILES for indol-7-one is O=C1C=CC=C2C=CN=C12.
What is the InChIKey of indol-7-one?
The InChIKey is UVDGWJRJTOCJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5H.
What are the key properties of indol-7-one?
indol-7-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-7-one is sourced from PubChem (CID 18376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).