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4-(Pyrrolidin-3-Yl)Morpholine
CAS: 53617-37-1 | C8H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53617-37-1
Molecular Formula:
C8H16N2O
Molecular Mass:
156.23 g/mol
Names and Synonyms:
4-(Pyrrolidin-3-Yl)Morpholine
Morpholine, 4-(3-pyrrolidinyl)-
4-(3-Pyrrolidinyl)morpholine
4-(Pyrrolidin-3-yl)morpholine
Identifiers:
SMILES:
C1CC(N2CCOCC2)CN1
InChI:
InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2
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 | 156.23 g/mol | CAS Common Chemistry |
| 156.229 g/mol | RDKit | |
| 156.126263132 g/mol | RDKit | |
| Canonical SMILES | O1CCN(CC1)C2CNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OPJDRNMJJNFSNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Pyrrolidin-3-yl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.5 Ų | RDKit |
| LogP | -0.3194999999999996 | RDKit |
| Molar Refractivity | 43.66670000000002 | RDKit |
