1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride

C9H18ClNO — CID 2831823

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride
SMILESCl.OC1CCNC2CCCCC12
InChIInChI=1S/C9H17NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h7-11H,1-6H2;1H
InChIKeyQXQGRJZPPZMIGA-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.32
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride (PubChem CID 2831823) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride
PubChem CID2831823
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride
SMILESCl.OC1CCNC2CCCCC12
InChIInChI=1S/C9H17NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h7-11H,1-6H2;1H
InChIKeyQXQGRJZPPZMIGA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride (CID 2831823) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride is Cl.OC1CCNC2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride?
The InChIKey is QXQGRJZPPZMIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h7-11H,1-6H2;1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-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 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol;hydrochloride is sourced from PubChem (CID 2831823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).