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1-Morpholinocyclopentene
CAS: 936-52-7 | C9H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
936-52-7
Molecular Formula:
C9H15NO
Molecular Weight:
153.225 g/mol
Names and Synonyms:
1-Morpholinocyclopentene
Morpholine, 4-(1-cyclopenten-1-yl)-
4-(1-Cyclopenten-1-yl)morpholine
1-Morpholino-1-cyclopentene
1-Morpholinocyclopentene
Cyclopentanone morpholine enamine
4-(1-Cyclopentenyl)morpholine
1-Morpholinylcyclopentene
N-(1-Cyclopentenyl)morpholine
1-(4-Morpholino)-1-cyclopentene
NSC 86131
1-(Morpholin-4-yl)cyclopentene
N-(1-Cyclopenten-1-yl)morpholine
Identifiers:
SMILES:
C1=C(N2CCOCC2)CCC1
InChI:
InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2
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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.23 g/mol | Legacy Database |
| cas-boiling-point | 97 °C @ Press: 7.5 Torr | Legacy Database | |
| cas-canonical-smile | O1CCN(C2=CCCC2)CC1 | Legacy Database | |
| cas-inchi | InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2 | Legacy Database | |
| cas-inchi-key | InChIKey=VAPOFMGACKUWCI-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 1-Morpholinocyclopentene | Legacy Database | |
| cas-melting-point | 122-127 °C (decomp) | Legacy Database | |
| LogP | 1.3863999999999999 | RDKit | |
| Molecular | Molecular Weight | 153.225 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.1153641 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 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 | 12.47 Ų | RDKit |
| Molar | Molar Refractivity | 44.32600000000002 | RDKit |
