Back to Search
Molecule
1-(Trimethylsilyl)-2-Pyrrolidinone
CAS: 14468-90-7 · C7H15NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14468-90-7
- Molecular Formula
- C7H15NOSi
- Molecular Mass
- 157.29 g/mol
Identifiers
CAS Registry Number
14468-90-7
SMILES
C[Si](C)(C)N1CCCC1=O
InChI Key
LUBVCBITQHEVCJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NOSi/c1-10(2,3)8-6-4-5-7(8)9/h4-6H2,1-3H3
Names and Synonyms
- 1-(Trimethylsilyl)-2-Pyrrolidinone Systematic Name
- 2-Pyrrolidinone, 1-(trimethylsilyl)- Synonym
- 1-(Trimethylsilyl)-2-pyrrolidinone Synonym
- N-(Trimethylsilyl)pyrrolidinone Synonym
- N-(Trimethylsilyl)-2-pyrrolidinone Synonym
- N-(Trimethylsilyl)-2-pyrrolidone Synonym
- N-Trimethylsilylpyrrolidone Synonym
- 1-(Trimethylsilyl)-2-pyrrolidone Synonym
- N-(trimethylsilyl)-2-pyrrolidone Synonym
- 1-(Trimethylsilanyl)pyrrolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.29 g/mol | CAS Common Chemistry |
| 157.289 g/mol | RDKit | |
| Canonical SMILES | O=C1N(CCC1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NOSi/c1-10(2,3)8-6-4-5-7(8)9/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LUBVCBITQHEVCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Trimethylsilyl)-2-pyrrolidinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.4437 | RDKit |
| Molar Refractivity | 44.29300000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 157.09229062999998 g/mol | RDKit |
| Boiling Point | 77-81 °C @ 6 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 157.29 g/mol. Edit any field — others recompute live.
