(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride

C9H18ClNO — CID 2792437

IUPAC(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
SMILESCl.O[C@]12CCCC[C@H]1CNCC2
InChIInChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1
InChIKeyYPFAFIHBCMTKFM-OZZZDHQUSA-N
MW191.70 g/mol
LogP1.32
Rot. Bonds

About (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride

(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride (PubChem CID 2792437) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride.

Molecular Properties

Compound Name(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
PubChem CID2792437
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
SMILESCl.O[C@]12CCCC[C@H]1CNCC2
InChIInChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1
InChIKeyYPFAFIHBCMTKFM-OZZZDHQUSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The IUPAC name of (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride (CID 2792437) is (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride.
What is the SMILES notation for (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The canonical SMILES for (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride is Cl.O[C@]12CCCC[C@H]1CNCC2.
What is the InChIKey of (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
The InChIKey is YPFAFIHBCMTKFM-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1.
What are the key properties of (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride?
(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride is sourced from PubChem (CID 2792437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).