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

C9H17NO — CID 117046485

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol
SMILESOC1CCC2CCNCC2C1
InChIInChI=1S/C9H17NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h7-11H,1-6H2
InChIKeyUZEVTZYAXYCSFX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds

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

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol (PubChem CID 117046485) 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-7-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol
PubChem CID117046485
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol
SMILESOC1CCC2CCNCC2C1
InChIInChI=1S/C9H17NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h7-11H,1-6H2
InChIKeyUZEVTZYAXYCSFX-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)
CID 20606
Decahydroquinolin-6-ol
CID 283197
(4aS,5S,6S,8aS)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-isoquinolin-6-ol
CID 44345562
5-Isoquinolinol, decahydro-2-ethyl-, cis-
CID 56225
Decahydroisoquinolin-6-ol
CID 12262842
Decahydro-2,2,4-trimethyl-6-quinolinol
CID 13794821
Decahydroisoquinolinol
CID 42608902
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
CID 20607
2-[(3S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl]ethanol
CID 134875938
4-Piperidin-4-ylcyclohexan-1-ol;hydrochloride
CID 178199985
3-(Decahydroisoquinolin-3-yl)-propan-1-ol
CID 586741
2-Decahydro-3-isoquinolinylethanol
CID 586743

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol (CID 117046485) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol is OC1CCC2CCNCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol?
The InChIKey is UZEVTZYAXYCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h7-11H,1-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-7-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 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-7-ol is sourced from PubChem (CID 117046485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).