A summary of the most common chemical descriptors (InChI Key and SMILES codes) for (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?

The molecule (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine presents a molecular formula of C19H19N and its IUPAC name is (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine.

This molecule, (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine, is a member of the class of compounds known as indenoindolines. It has a molecular formula of C19H19N and a molecular weight of 261.37..

This molecule is an aromatic compound, meaning it contains a ring of atoms with alternating double and single bonds. The structure of the molecule is a flat, aromatic ring with a side chain attached to one of the ring atoms. The side chain is made up of a nitrogen atom and a phenyl group..

The molecule is insoluble in water but soluble in organic solvents. It is a white solid at room temperature and pressure..

This molecule has potential applications in the field of medicine. It has been shown to have anti-inflammatory and analgesic properties in animal studies. Additionally, it has been shown to inhibit the growth of certain cancer cells..

3D structure

Cartesian coordinates

Geometry of (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


(9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine ISFHAYSTHMVOJR-LJQANCHMSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name(9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
InChI codeInChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3/t19-/m1/s1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC968340
  • SCHEMBL29503

Physico-Chemical properties

IUPAC name(9R)-2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
Molecular formulaC19H19N
Molecular weight261.361
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity87.80
Topological polar surface area3.2

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.