2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol

C8H15NO — CID 18931574

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
SMILESOC1CCCC2CNCC12
InChIInChI=1S/C8H15NO/c10-8-3-1-2-6-4-9-5-7(6)8/h6-10H,1-5H2
InChIKeyKYHMFVRVHASKGM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol

2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol (PubChem CID 18931574) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
PubChem CID18931574
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
SMILESOC1CCCC2CNCC12
InChIInChI=1S/C8H15NO/c10-8-3-1-2-6-4-9-5-7(6)8/h6-10H,1-5H2
InChIKeyKYHMFVRVHASKGM-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol (CID 18931574) is 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol is OC1CCCC2CNCC12.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The InChIKey is KYHMFVRVHASKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-3-1-2-6-4-9-5-7(6)8/h6-10H,1-5H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol is sourced from PubChem (CID 18931574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).