(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

C13H16ClN — CID 86337762

IUPAC(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCl[C@@H]1CCN2CCc3ccccc3[C@H]2C1
InChIInChI=1S/C13H16ClN/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9H2/t11-,13-/m1/s1
InChIKeyZVAFQGZUKSEIBX-DGCLKSJQSA-N
MW221.73 g/mol
LogP2.99
Rot. Bonds

About (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 86337762) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

Compound Name(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
PubChem CID86337762
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SMILESCl[C@@H]1CCN2CCc3ccccc3[C@H]2C1
InChIInChI=1S/C13H16ClN/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9H2/t11-,13-/m1/s1
InChIKeyZVAFQGZUKSEIBX-DGCLKSJQSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine with MolForge

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Related Compounds

2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 125486415
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
(2R,11bS)-2-[methyl(methylsulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217504
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,3-dimethylbutanamide
CID 14107044
N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide
CID 12783194
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]ethanesulfonamide;hydrochloride
CID 45262031
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]amino]ethyl]methanesulfonamide
CID 70412322
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298

Frequently Asked Questions

What is the IUPAC name of (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The IUPAC name of (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 86337762) is (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
What is the SMILES notation for (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The canonical SMILES for (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is Cl[C@@H]1CCN2CCc3ccccc3[C@H]2C1.
What is the InChIKey of (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
The InChIKey is ZVAFQGZUKSEIBX-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16ClN/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,11,13H,5-9H2/t11-,13-/m1/s1.
What are the key properties of (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?
(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 221.73 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 86337762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).