(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine

C18H19N — CID 129392517

IUPAC(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESc1ccc([C@]23CCCN[C@@H]2c2ccccc2C3)cc1
InChIInChI=1S/C18H19N/c1-2-8-15(9-3-1)18-11-6-12-19-17(18)16-10-5-4-7-14(16)13-18/h1-5,7-10,17,19H,6,11-13H2/t17-,18-/m1/s1
InChIKeyKNZJGWSYCJGDEY-QZTJIDSGSA-N
MW249.36 g/mol
LogP3.61
Rot. Bonds1

About (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine

(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 129392517) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID129392517
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESc1ccc([C@]23CCCN[C@@H]2c2ccccc2C3)cc1
InChIInChI=1S/C18H19N/c1-2-8-15(9-3-1)18-11-6-12-19-17(18)16-10-5-4-7-14(16)13-18/h1-5,7-10,17,19H,6,11-13H2/t17-,18-/m1/s1
InChIKeyKNZJGWSYCJGDEY-QZTJIDSGSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine (CID 129392517) is (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine is c1ccc([C@]23CCCN[C@@H]2c2ccccc2C3)cc1.
What is the InChIKey of (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is KNZJGWSYCJGDEY-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19N/c1-2-8-15(9-3-1)18-11-6-12-19-17(18)16-10-5-4-7-14(16)13-18/h1-5,7-10,17,19H,6,11-13H2/t17-,18-/m1/s1.
What are the key properties of (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 249.36 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 129392517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).