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1-Morpholinocyclohexene
CAS: 670-80-4 | C10H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
670-80-4
Molecular Formula:
C10H17NO
Molecular Mass:
167.25 g/mol
Names and Synonyms:
1-Morpholinocyclohexene
Morpholine, 4-(1-cyclohexen-1-yl)-
4-(1-Cyclohexen-1-yl)morpholine
1-Morpholino-1-cyclohexene
Cyclohexanone morpholine enamine
1-Morpholinocyclohexene
4-(1-Cyclohexenyl)morpholine
1-(N-Morpholino)cyclohexene
N-Morpholino-1-cyclohexene
N-Cyclohex-1-enylmorpholine
1-(N-Morpholinyl)cyclohexene
N-1′-Cyclohexenylmorpholine
2-Morpholino-1-cyclohexene
1-(4-Morpholino)cyclohexene
1-(Morpholin-4-yl)cyclohexene
1-(4-Morpholino)-1-cyclohexene
NSC 42450
N-(1-Cyclohexen-1-yl)morpholine
1-(Morpholin-4-yl)cyclohex-1-ene
Identifiers:
SMILES:
C1=C(N2CCOCC2)CCCC1
InChI:
InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2
Key Properties
Boiling Point
117-120 °C @ Press: 10 Torr
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 | 167.25 g/mol | CAS Common Chemistry |
| 167.25199999999998 g/mol | RDKit | |
| 167.131014164 g/mol | RDKit | |
| Boiling Point | 117-120 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CCN(C2=CCCCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IIQFBBQJYPGOHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Morpholinocyclohexene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 1.7765 | RDKit |
| Molar Refractivity | 48.94300000000003 | RDKit |
