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2-Pyrrolidinecarboxamide, Hydrochloride (1:1), (2S)-
CAS: 42429-27-6 | C5H11ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42429-27-6
Molecular Formula:
C5H11ClN2O
Molecular Weight:
150.609 g/mol
Names and Synonyms:
2-Pyrrolidinecarboxamide, Hydrochloride (1:1), (2S)-
2-Pyrrolidinecarboxamide, hydrochloride (1:1), (2S)-
2-Pyrrolidinecarboxamide, monohydrochloride, (S)-
2-Pyrrolidinecarboxamide, monohydrochloride, (2S)-
L-Prolinamide hydrochloride
Prolinamide hydrochloride
(S)-Pyrrolidine-2-carboxamide hydrochloride
(S)-2-Carbamoylpyrrolidine hydrochloride
Identifiers:
SMILES:
Cl.N=C(O)[C@@H]1CCCN1
InChI:
InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 150.609 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.055990652 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 56.11 Ų | RDKit |
| Physical Properties | LogP | 0.69547 | RDKit |
| molecular_mass | 150.61 g/mol | Legacy Database | |
| cas-canonical-smile | Cl.O=C(N)C1NCCC1 | Legacy Database | |
| cas-inchi | InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1 | Legacy Database | |
| cas-inchi-key | InChIKey=CSKSDAVTCKIENY-WCCKRBBISA-N | Legacy Database | |
| cas-melting-point | 182 °C | Legacy Database | |
| cas-name | 2-Pyrrolidinecarboxamide, hydrochloride (1:1), (2S)- | Legacy Database | |
| Molar | Molar Refractivity | 38.62820000000001 | RDKit |
