Back to Search
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 Mass:
153.23 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
Key Properties
Boiling Point
97 °C @ Press: 7.5 Torr
CAS Common Chemistry
Melting Point
122-127 °C (decomp)
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 | 153.23 g/mol | CAS Common Chemistry |
| 153.225 g/mol | RDKit | |
| 153.1153641 g/mol | RDKit | |
| Boiling Point | 97 °C @ Press: 7.5 Torr | CAS Common Chemistry |
| 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 |
| LogP | 1.3863999999999999 | RDKit |
| Molar Refractivity | 44.32600000000002 | RDKit |
