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(2R)-2-Pyrrolidinecarboxamide
CAS: 62937-45-5 | C5H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62937-45-5
Molecular Formula:
C5H10N2O
Molecular Weight:
114.14800000000001 g/mol
Names and Synonyms:
(2R)-2-Pyrrolidinecarboxamide
(R)-Prolinamide
(2R)-Pyrrolidine-2-carboxamide
D-(-)Prolinamide
(R)-Prolinamide
(R)-Pyrrolidine-2-carboxamide
(2R)-2-Carbamoylpyrrolidine
D-Prolinamide
(2R)-2-Pyrrolidinecarboxamide
2-Pyrrolidinecarboxamide, (R)-
2-Pyrrolidinecarboxamide, (2R)-
Identifiers:
SMILES:
N=C(O)[C@H]1CCCN1
InChI:
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 114.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C1NCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=VLJNHYLEOZPXFW-SCSAIBSYSA-N None | Legacy Database |
| cas-name | (2R)-2-Pyrrolidinecarboxamide None | Legacy Database |
| LogP | 0.2736699999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.14800000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 56.11 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.38019999999999 | RDKit |
