(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride

C15H20ClNO — CID 16719346

IUPAC(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride
SMILESCl.O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2;1H/t13-,15-;/m1./s1
InChIKeyCKWNAZCAURZZPK-SWYZXDRTSA-N
MW265.78 g/mol
LogP3.02
Rot. Bonds1

About (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride

(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride (PubChem CID 16719346) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride.

Molecular Properties

Compound Name(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride
PubChem CID16719346
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride
SMILESCl.O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2;1H/t13-,15-;/m1./s1
InChIKeyCKWNAZCAURZZPK-SWYZXDRTSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride?
The IUPAC name of (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride (CID 16719346) is (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride.
What is the SMILES notation for (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride?
The canonical SMILES for (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride is Cl.O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1.
What is the InChIKey of (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride?
The InChIKey is CKWNAZCAURZZPK-SWYZXDRTSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2;1H/t13-,15-;/m1./s1.
What are the key properties of (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride?
(1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one;hydrochloride is sourced from PubChem (CID 16719346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).