(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C9H15NO2 — CID 102280583

IUPAC(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCC[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C9H15NO2/c11-8-4-2-6-10-7(8)3-1-5-9(10)12/h7-8,11H,1-6H2/t7-,8+/m0/s1
InChIKeyZCUXSOGDKLESQB-JGVFFNPUSA-N
MW169.22 g/mol
LogP0.52
Rot. Bonds

About (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 102280583) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID102280583
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCC[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C9H15NO2/c11-8-4-2-6-10-7(8)3-1-5-9(10)12/h7-8,11H,1-6H2/t7-,8+/m0/s1
InChIKeyZCUXSOGDKLESQB-JGVFFNPUSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 102280583) is (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is O=C1CCC[C@H]2[C@H](O)CCCN12.
What is the InChIKey of (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is ZCUXSOGDKLESQB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8-4-2-6-10-7(8)3-1-5-9(10)12/h7-8,11H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 169.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 102280583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).