6-hydroxy-2,3-dihydroisoindol-1-one

C8H7NO2 — CID 11528364

IUPAC6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(O)cc21
InChIInChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
InChIKeyYGEDYDDFFVHFEA-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.64
Rot. Bonds

About 6-hydroxy-2,3-dihydroisoindol-1-one

6-hydroxy-2,3-dihydroisoindol-1-one (PubChem CID 11528364) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydroisoindol-1-one
PubChem CID11528364
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(O)cc21
InChIInChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
InChIKeyYGEDYDDFFVHFEA-UHFFFAOYSA-N
XLogP0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-hydroxy-2,3-dihydroisoindol-1-one (CID 11528364) is 6-hydroxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-hydroxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-hydroxy-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2,3-dihydroisoindol-1-one?
The InChIKey is YGEDYDDFFVHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11).
What are the key properties of 6-hydroxy-2,3-dihydroisoindol-1-one?
6-hydroxy-2,3-dihydroisoindol-1-one has a molecular weight of 149.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 11528364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).