isoindol-4-one

C8H5NO — CID 18933198

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

About isoindol-4-one

isoindol-4-one (PubChem CID 18933198) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is isoindol-4-one.

Molecular Properties

Compound Nameisoindol-4-one
PubChem CID18933198
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Nameisoindol-4-one
SMILESO=C1C=CC=C2C=NC=C12
InChIInChI=1S/C8H5NO/c10-8-3-1-2-6-4-9-5-7(6)8/h1-5H
InChIKeyNQBUERYLUPYOEL-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

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Frequently Asked Questions

What is the IUPAC name of isoindol-4-one?
The IUPAC name of isoindol-4-one (CID 18933198) is isoindol-4-one.
What is the SMILES notation for isoindol-4-one?
The canonical SMILES for isoindol-4-one is O=C1C=CC=C2C=NC=C12.
What is the InChIKey of isoindol-4-one?
The InChIKey is NQBUERYLUPYOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c10-8-3-1-2-6-4-9-5-7(6)8/h1-5H.
What are the key properties of isoindol-4-one?
isoindol-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 isoindol-4-one is sourced from PubChem (CID 18933198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).