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Molecule
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
Identifiers
CAS Registry Number
77191-36-7
SMILES
Cc1cccc(C)c1N=C(O)CN1CCCC1=O
InChI Key
NGHTXZCKLWZPGK-UHFFFAOYSA-N
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)
Names and Synonyms
- Nefiracetam Synonym
- 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-oxo- Synonym
- N-(2,6-Dimethylphenyl)-2-oxo-1-pyrrolidineacetamide Synonym
- DM 9384 Synonym
- DMPPA Synonym
- Nefiracetam Synonym
- 2-(2-Oxo-1-pyrrolidinyl)-N-(2,6-dimethylphenyl)acetamide Synonym
- N-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl)acetamide Synonym
- Translon Synonym
- DZL 221 Synonym
- DMMPA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.31 g/mol | CAS Common Chemistry |
| 246.30999999999995 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 |
| 52.9 Ų | RDKit | |
| 52.67 Ų | chempirical lib | |
| LogP | 2.513840000000001 | RDKit |
| 2.5138 | RDKit | |
| Molar Refractivity | 71.45380000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 246.136827816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 246.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H18N2O2.
