3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one

C8H9NO2 — CID 162192944

IUPAC3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one
SMILESO=C1NC(O)C2=C1C=CCC2
InChIInChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1,3,8,11H,2,4H2,(H,9,10)
InChIKeyZQODLZACHKUWBD-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.08
Rot. Bonds

About 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one

3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one (PubChem CID 162192944) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one
PubChem CID162192944
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one
SMILESO=C1NC(O)C2=C1C=CCC2
InChIInChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1,3,8,11H,2,4H2,(H,9,10)
InChIKeyZQODLZACHKUWBD-UHFFFAOYSA-N
XLogP0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one?
The IUPAC name of 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one (CID 162192944) is 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one.
What is the SMILES notation for 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one?
The canonical SMILES for 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one is O=C1NC(O)C2=C1C=CCC2.
What is the InChIKey of 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one?
The InChIKey is ZQODLZACHKUWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1,3,8,11H,2,4H2,(H,9,10).
What are the key properties of 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one?
3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one has a molecular weight of 151.16 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,3,4,5-tetrahydroisoindol-1-one is sourced from PubChem (CID 162192944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).