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L-Prolinamide
CAS: 7531-52-4 | C5H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7531-52-4
Molecular Formula:
C5H10N2O
Molecular Weight:
114.14800000000001 g/mol
Names and Synonyms:
L-Prolinamide
(2S)-Pyrrolidine-2-carboxamide
(S)-Pyrrolidine-2-carboxylic acid amide
(2S)-2-Carbamoylpyrrolidine
(2S)-Pyrrolidine-2-carboxylic acid amide
(S)-2-(Aminocarbonyl)pyrrolidine
(S)-Proline amide
(S)-Pyrrolidine-2-carboxamide
(S)-Prolinamide
(-)-Prolinamide
L-Prolinamide
L-Proline amide
(2S)-2-Pyrrolidinecarboxamide
2-Pyrrolidinecarboxamide, (S)-
Prolinamide, L-
2-Pyrrolidinecarboxamide, (2S)-
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-/m0/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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.2736699999999999 | RDKit |
| 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-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=VLJNHYLEOZPXFW-BYPYZUCNSA-N None | Legacy Database |
| cas-melting-point | 93 °C None | Legacy Database |
| cas-name | L-Prolinamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.38019999999999 | RDKit |
