(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride

C9H18ClNO — CID 155822040

IUPAC(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride
SMILESCl.O[C@@H]1CNC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C9H17NO.ClH/c11-9-6-10-5-7-3-1-2-4-8(7)9;/h7-11H,1-6H2;1H/t7-,8-,9+;/m0./s1
InChIKeyLQMQUUUJUZNXPH-CTERPIQNSA-N
MW191.70 g/mol
LogP1.18
Rot. Bonds

About (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride

(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride (PubChem CID 155822040) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride.

Molecular Properties

Compound Name(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride
PubChem CID155822040
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride
SMILESCl.O[C@@H]1CNC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C9H17NO.ClH/c11-9-6-10-5-7-3-1-2-4-8(7)9;/h7-11H,1-6H2;1H/t7-,8-,9+;/m0./s1
InChIKeyLQMQUUUJUZNXPH-CTERPIQNSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride?
The IUPAC name of (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride (CID 155822040) is (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride.
What is the SMILES notation for (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride?
The canonical SMILES for (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride is Cl.O[C@@H]1CNC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride?
The InChIKey is LQMQUUUJUZNXPH-CTERPIQNSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c11-9-6-10-5-7-3-1-2-4-8(7)9;/h7-11H,1-6H2;1H/t7-,8-,9+;/m0./s1.
What are the key properties of (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride?
(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride is sourced from PubChem (CID 155822040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).