(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one

C13H15NO2 — CID 102482116

IUPAC(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
SMILESO=C1CC[C@@H](O)[C@H]2c3ccccc3CCN12
InChIInChI=1S/C13H15NO2/c15-11-5-6-12(16)14-8-7-9-3-1-2-4-10(9)13(11)14/h1-4,11,13,15H,5-8H2/t11-,13-/m1/s1
InChIKeyLPVCUOUAVWGTNT-DGCLKSJQSA-N
MW217.27 g/mol
LogP1.27
Rot. Bonds

About (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one

(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one (PubChem CID 102482116) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
PubChem CID102482116
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
SMILESO=C1CC[C@@H](O)[C@H]2c3ccccc3CCN12
InChIInChI=1S/C13H15NO2/c15-11-5-6-12(16)14-8-7-9-3-1-2-4-10(9)13(11)14/h1-4,11,13,15H,5-8H2/t11-,13-/m1/s1
InChIKeyLPVCUOUAVWGTNT-DGCLKSJQSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The IUPAC name of (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one (CID 102482116) is (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one is O=C1CC[C@@H](O)[C@H]2c3ccccc3CCN12.
What is the InChIKey of (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
The InChIKey is LPVCUOUAVWGTNT-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-5-6-12(16)14-8-7-9-3-1-2-4-10(9)13(11)14/h1-4,11,13,15H,5-8H2/t11-,13-/m1/s1.
What are the key properties of (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one?
(1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11bR)-1-hydroxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 102482116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).