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Molecule
1-Morpholinocyclopentene
CAS: 936-52-7 · C9H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 936-52-7
- Molecular Formula
- C9H15NO
- Molecular Mass
- 153.23 g/mol
Identifiers
CAS Registry Number
936-52-7
SMILES
C1=C(N2CCOCC2)CCC1
InChI Key
VAPOFMGACKUWCI-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2
Names and Synonyms
- 1-Morpholinocyclopentene Synonym
- Morpholine, 4-(1-cyclopenten-1-yl)- Synonym
- 4-(1-Cyclopenten-1-yl)morpholine Synonym
- 1-Morpholino-1-cyclopentene Synonym
- 1-Morpholinocyclopentene Synonym
- Cyclopentanone morpholine enamine Synonym
- 4-(1-Cyclopentenyl)morpholine Synonym
- 1-Morpholinylcyclopentene Synonym
- N-(1-Cyclopentenyl)morpholine Synonym
- 1-(4-Morpholino)-1-cyclopentene Synonym
- NSC 86131 Synonym
- 1-(Morpholin-4-yl)cyclopentene Synonym
- N-(1-Cyclopenten-1-yl)morpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.23 g/mol | CAS Common Chemistry |
| 153.225 g/mol | RDKit | |
| Canonical SMILES | O1CCN(C2=CCCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VAPOFMGACKUWCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122-127 °C (decomp) | CAS Common Chemistry |
| Name | 1-Morpholinocyclopentene | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.3863999999999999 | RDKit |
| 1.3864 | RDKit | |
| Molar Refractivity | 44.32600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 153.1153641 g/mol | RDKit |
| Boiling Point | 97 °C @ 7.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 153.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H15NO.
