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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 Weight:
151.253 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.253 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.136099544 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 3.24 Ų | RDKit |
| Physical Properties | LogP | 2.5401000000000007 | RDKit |
| molecular_mass | 151.25 g/mol | Legacy Database | |
| cas-boiling-point | 107-114 °C @ Press: 12 Torr | Legacy Database | |
| cas-canonical-smile | C1=C(N2CCCC2)CCCC1 | Legacy Database | |
| cas-inchi | InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2 | Legacy Database | |
| cas-inchi-key | InChIKey=KTZNVZJECQAMBV-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 113 °C | Legacy Database | |
| cas-name | 1-(1-Cyclohexen-1-yl)pyrrolidine | Legacy Database | |
| Molar | Molar Refractivity | 47.35800000000003 | RDKit |
