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1-(1-Cyclohexen-1-Yl)Pyrrolidine
CAS: 1125-99-1 | C10H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1125-99-1
Molecular Formula:
C10H17N
Molecular Mass:
151.25 g/mol
Names and Synonyms:
1-(1-Cyclohexen-1-Yl)Pyrrolidine
Pyrrolidine, 1-(1-cyclohexen-1-yl)-
1-(1-Cyclohexen-1-yl)pyrrolidine
1-Pyrrolidinocyclohexene
Cyclohexanone pyrrolidine enamine
1-(1-Pyrrolidinyl)cyclohexene
1-(1-Pyrrolidino)-1-cyclohexene
1-Pyrrolidino-1-cyclohexene
N-(1-Cyclohexenyl)pyrrolidine
N-(1-Cyclohexen-1-yl)pyrrolidine
1-(1-Cyclohexenyl)pyrrolidine
1-(Pyrrolidine-1-yl)-1-cyclohexene
NSC 29652
Identifiers:
SMILES:
C1=C(N2CCCC2)CCCC1
InChI:
InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2
Key Properties
Boiling Point
107-114 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
113 °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 | 151.25 g/mol | CAS Common Chemistry |
| 151.253 g/mol | RDKit | |
| 151.136099544 g/mol | RDKit | |
| Boiling Point | 107-114 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | C1=C(N2CCCC2)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KTZNVZJECQAMBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | 1-(1-Cyclohexen-1-yl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.5401000000000007 | RDKit |
| Molar Refractivity | 47.35800000000003 | RDKit |
