(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol

C14H19NO — CID 56773396

IUPAC(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol
SMILESC[C@@]12CC(O)CCN1CCc1ccccc12
InChIInChI=1S/C14H19NO/c1-14-10-12(16)7-9-15(14)8-6-11-4-2-3-5-13(11)14/h2-5,12,16H,6-10H2,1H3/t12?,14-/m0/s1
InChIKeyOJOJONSLWNYEQZ-PYMCNQPYSA-N
MW217.31 g/mol
LogP1.91
Rot. Bonds

About (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol

(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol (PubChem CID 56773396) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol
PubChem CID56773396
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol
SMILESC[C@@]12CC(O)CCN1CCc1ccccc12
InChIInChI=1S/C14H19NO/c1-14-10-12(16)7-9-15(14)8-6-11-4-2-3-5-13(11)14/h2-5,12,16H,6-10H2,1H3/t12?,14-/m0/s1
InChIKeyOJOJONSLWNYEQZ-PYMCNQPYSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol?
The IUPAC name of (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol (CID 56773396) is (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol.
What is the SMILES notation for (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol?
The canonical SMILES for (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol is C[C@@]12CC(O)CCN1CCc1ccccc12.
What is the InChIKey of (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol?
The InChIKey is OJOJONSLWNYEQZ-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-10-12(16)7-9-15(14)8-6-11-4-2-3-5-13(11)14/h2-5,12,16H,6-10H2,1H3/t12?,14-/m0/s1.
What are the key properties of (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol?
(11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol has a molecular weight of 217.31 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11bS)-11b-methyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 56773396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).