4,5,6,7-tetrahydro-2H-isoindol-4-ol

C8H11NO — CID 83207791

IUPAC4,5,6,7-tetrahydro-2H-isoindol-4-ol
SMILESOC1CCCc2c[nH]cc21
InChIInChI=1S/C8H11NO/c10-8-3-1-2-6-4-9-5-7(6)8/h4-5,8-10H,1-3H2
InChIKeyTWNBFKFDYPBVTR-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.38
Rot. Bonds

About 4,5,6,7-tetrahydro-2H-isoindol-4-ol

4,5,6,7-tetrahydro-2H-isoindol-4-ol (PubChem CID 83207791) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-isoindol-4-ol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-isoindol-4-ol
PubChem CID83207791
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5,6,7-tetrahydro-2H-isoindol-4-ol
SMILESOC1CCCc2c[nH]cc21
InChIInChI=1S/C8H11NO/c10-8-3-1-2-6-4-9-5-7(6)8/h4-5,8-10H,1-3H2
InChIKeyTWNBFKFDYPBVTR-UHFFFAOYSA-N
XLogP1.38
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2H-isoindol-4-ol?
The IUPAC name of 4,5,6,7-tetrahydro-2H-isoindol-4-ol (CID 83207791) is 4,5,6,7-tetrahydro-2H-isoindol-4-ol.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-isoindol-4-ol?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-isoindol-4-ol is OC1CCCc2c[nH]cc21.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-isoindol-4-ol?
The InChIKey is TWNBFKFDYPBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-3-1-2-6-4-9-5-7(6)8/h4-5,8-10H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydro-2H-isoindol-4-ol?
4,5,6,7-tetrahydro-2H-isoindol-4-ol has a molecular weight of 137.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-isoindol-4-ol is sourced from PubChem (CID 83207791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).