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Molecule
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
Identifiers
CAS Registry Number
670-80-4
SMILES
C1=C(N2CCOCC2)CCCC1
InChI Key
IIQFBBQJYPGOHJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2
Names and Synonyms
- 1-Morpholinocyclohexene Synonym
- Morpholine, 4-(1-cyclohexen-1-yl)- Synonym
- 4-(1-Cyclohexen-1-yl)morpholine Synonym
- 1-Morpholino-1-cyclohexene Synonym
- Cyclohexanone morpholine enamine Synonym
- 1-Morpholinocyclohexene Synonym
- 4-(1-Cyclohexenyl)morpholine Synonym
- 1-(N-Morpholino)cyclohexene Synonym
- N-Morpholino-1-cyclohexene Synonym
- N-Cyclohex-1-enylmorpholine Synonym
- 1-(N-Morpholinyl)cyclohexene Synonym
- N-1′-Cyclohexenylmorpholine Synonym
- 2-Morpholino-1-cyclohexene Synonym
- 1-(4-Morpholino)cyclohexene Synonym
- 1-(Morpholin-4-yl)cyclohexene Synonym
- 1-(4-Morpholino)-1-cyclohexene Synonym
- NSC 42450 Synonym
- N-(1-Cyclohexen-1-yl)morpholine Synonym
- 1-(Morpholin-4-yl)cyclohex-1-ene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.25 g/mol | CAS Common Chemistry |
| 167.25199999999998 g/mol | RDKit | |
| 167.252 g/mol | RDKit | |
| 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 |
| 12.24 Ų | chempirical lib | |
| LogP | 1.7765 | RDKit |
| Molar Refractivity | 48.94300000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 167.131014164 g/mol | RDKit |
| Boiling Point | 117-120 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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80
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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.
External Resources
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MW = 167.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H17NO.
