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Molecule
L-Prolinamide
CAS: 7531-52-4 · C5H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7531-52-4
- Molecular Formula
- C5H10N2O
- Molecular Mass
- 114.15 g/mol
Identifiers
CAS Registry Number
7531-52-4
SMILES
N=C(O)[C@@H]1CCCN1
InChI Key
VLJNHYLEOZPXFW-BYPYZUCNSA-N
InChI
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
Names and Synonyms
- L-Prolinamide Common Name
- 2-Pyrrolidinecarboxamide, (2S)- Synonym
- Prolinamide, L- Synonym
- 2-Pyrrolidinecarboxamide, (S)- Synonym
- (2S)-2-Pyrrolidinecarboxamide Synonym
- L-Proline amide Synonym
- L-Prolinamide Synonym
- (-)-Prolinamide Synonym
- (S)-Prolinamide Synonym
- (S)-Pyrrolidine-2-carboxamide Synonym
- (S)-Proline amide Synonym
- (S)-2-(Aminocarbonyl)pyrrolidine Synonym
- (2S)-Pyrrolidine-2-carboxylic acid amide Synonym
- (2S)-2-Carbamoylpyrrolidine Synonym
- (S)-Pyrrolidine-2-carboxylic acid amide Synonym
- (2S)-Pyrrolidine-2-carboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.15 g/mol | CAS Common Chemistry |
| 114.14800000000001 g/mol | RDKit | |
| 114.148 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VLJNHYLEOZPXFW-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | L-Prolinamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 0.2736699999999999 | RDKit |
| 0.2737 | RDKit | |
| Molar Refractivity | 31.38019999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 114.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 114.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10N2O.
