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Nefiracetam
CAS: 77191-36-7 | C14H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77191-36-7
Molecular Formula:
C14H18N2O2
Molecular Mass:
246.31 g/mol
Names and Synonyms:
Nefiracetam
1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-oxo-
N-(2,6-Dimethylphenyl)-2-oxo-1-pyrrolidineacetamide
DM 9384
DMPPA
Nefiracetam
2-(2-Oxo-1-pyrrolidinyl)-N-(2,6-dimethylphenyl)acetamide
N-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl)acetamide
Translon
DZL 221
DMMPA
Identifiers:
SMILES:
Cc1cccc(C)c1N=C(O)CN1CCCC1=O
InChI:
InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
Key Properties
Melting Point
153 °C
CAS Common Chemistry
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 | 246.31 g/mol | CAS Common Chemistry |
| 246.30999999999995 g/mol | RDKit | |
| 246.136827816 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)CN2C(=O)CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17) | CAS Common Chemistry |
| InChI Key | InChIKey=NGHTXZCKLWZPGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | Nefiracetam | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.900000000000006 Ų | RDKit |
| LogP | 2.513840000000001 | RDKit |
| Molar Refractivity | 71.45380000000003 | RDKit |
