1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol

C9H17NO — CID 42608902

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol
SMILESOC1NCCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h7-11H,1-6H2
InChIKeyOLLDXDDOCVZWOR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.10
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol (PubChem CID 42608902) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol
PubChem CID42608902
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol
SMILESOC1NCCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h7-11H,1-6H2
InChIKeyOLLDXDDOCVZWOR-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol (CID 42608902) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol is OC1NCCC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol?
The InChIKey is OLLDXDDOCVZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h7-11H,1-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-ol is sourced from PubChem (CID 42608902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).