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5-Methyl-6,7-Dihydro-5H-Cyclopentapyrazine
CAS: 23747-48-0 | C8H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23747-48-0
Molecular Formula:
C8H10N2
Molecular Mass:
134.18 g/mol
Names and Synonyms:
5-Methyl-6,7-Dihydro-5H-Cyclopentapyrazine
5H-Cyclopentapyrazine, 6,7-dihydro-5-methyl-
6,7-Dihydro-5-methyl-5H-cyclopentapyrazine
5-Methyl-6,7-dihydro-5H-cyclopentapyrazine
5-Methyl-6,7-dihydro-5H-cyclopentylpyrazine
5-Methyl-6,7-dihydro-5H-cyclopenta(b)pyrazine
Identifiers:
SMILES:
CC1CCc2nccnc21
InChI:
InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
Key Properties
Boiling Point
66 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
121-123 °C
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 | 134.18 g/mol | CAS Common Chemistry |
| 134.182 g/mol | RDKit | |
| 134.08439832 g/mol | RDKit | |
| Boiling Point | 66 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CN=C2C1CCC2C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZEFQPIMXZVPKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-123 °C | CAS Common Chemistry |
| Name | 5-Methyl-6,7-dihydro-5H-cyclopentapyrazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 1.5263 | RDKit |
| Molar Refractivity | 38.76800000000001 | RDKit |
