Back to Search
6,7-Dihydro-5H-Cyclopenta[B]Pyridine
CAS: 533-37-9 | C8H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
533-37-9
Molecular Formula:
C8H9N
Molecular Mass:
119.17 g/mol
Names and Synonyms:
6,7-Dihydro-5H-Cyclopenta[B]Pyridine
5H-Cyclopenta[b]pyridine, 6,7-dihydro-
5H-1-Pyrindine, 6,7-dihydro-
6,7-Dihydro-5H-cyclopenta[b]pyridine
Pyrindan
2,3-Cyclopentenopyridine
6,7-Dihydro-5H-pyrindine
6,7-Dihydro-5H-[1]pyrindine
Identifiers:
SMILES:
c1cnc2c(c1)CCC2
InChI:
InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
Key Properties
Boiling Point
90 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
117 °C
CAS Common Chemistry
Density
1.04 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.17 g/mol | CAS Common Chemistry |
| 119.16699999999999 g/mol | RDKit | |
| 119.073499288 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0359 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 90 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C2C1CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KRNSYSYRLQDHDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117 °C | CAS Common Chemistry |
| Name | 6,7-Dihydro-5H-cyclopenta[b]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.5703 | RDKit |
| Molar Refractivity | 36.26200000000001 | RDKit |
