(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine

C13H13N — CID 68935734

IUPAC(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine
SMILESC1=CCC2C(=C1)C=CN1C=CC=C[C@@H]21
InChIInChI=1S/C13H13N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-5,7-10,12-13H,6H2/t12?,13-/m0/s1
InChIKeyHQLSHBDOIUUPHG-ABLWVSNPSA-N
MW183.25 g/mol
LogP2.77
Rot. Bonds

About (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine

(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine (PubChem CID 68935734) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine.

Molecular Properties

Compound Name(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine
PubChem CID68935734
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine
SMILESC1=CCC2C(=C1)C=CN1C=CC=C[C@@H]21
InChIInChI=1S/C13H13N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-5,7-10,12-13H,6H2/t12?,13-/m0/s1
InChIKeyHQLSHBDOIUUPHG-ABLWVSNPSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine?
The IUPAC name of (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine (CID 68935734) is (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine.
What is the SMILES notation for (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine?
The canonical SMILES for (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine is C1=CCC2C(=C1)C=CN1C=CC=C[C@@H]21.
What is the InChIKey of (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine?
The InChIKey is HQLSHBDOIUUPHG-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H13N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-5,7-10,12-13H,6H2/t12?,13-/m0/s1.
What are the key properties of (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine?
(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine has a molecular weight of 183.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine is sourced from PubChem (CID 68935734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).