1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol

C8H15NO — CID 70541295

IUPAC1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol
SMILESOC12CCCCC1CNC2
InChIInChI=1S/C8H15NO/c10-8-4-2-1-3-7(8)5-9-6-8/h7,9-10H,1-6H2
InChIKeyODMLWUKLOAGJCA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

About 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol

1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol (PubChem CID 70541295) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol.

Molecular Properties

Compound Name1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol
PubChem CID70541295
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol
SMILESOC12CCCCC1CNC2
InChIInChI=1S/C8H15NO/c10-8-4-2-1-3-7(8)5-9-6-8/h7,9-10H,1-6H2
InChIKeyODMLWUKLOAGJCA-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol?
The IUPAC name of 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol (CID 70541295) is 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol.
What is the SMILES notation for 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol?
The canonical SMILES for 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol is OC12CCCCC1CNC2.
What is the InChIKey of 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol?
The InChIKey is ODMLWUKLOAGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-4-2-1-3-7(8)5-9-6-8/h7,9-10H,1-6H2.
What are the key properties of 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol?
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol is sourced from PubChem (CID 70541295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).