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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
Names and Synonyms:
1-(Trimethylsilyl)-2-Pyrrolidinone
2-Pyrrolidinone, 1-(trimethylsilyl)-
1-(Trimethylsilyl)-2-pyrrolidinone
N-(Trimethylsilyl)pyrrolidinone
N-(Trimethylsilyl)-2-pyrrolidinone
N-(Trimethylsilyl)-2-pyrrolidone
N-Trimethylsilylpyrrolidone
1-(Trimethylsilyl)-2-pyrrolidone
N-(trimethylsilyl)-2-pyrrolidone
1-(Trimethylsilanyl)pyrrolidin-2-one
Identifiers:
SMILES:
C[Si](C)(C)N1CCCC1=O
InChI:
InChI=1S/C7H15NOSi/c1-10(2,3)8-6-4-5-7(8)9/h4-6H2,1-3H3
Key Properties
Boiling Point
77-81 °C @ Press: 6 Torr
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 | 157.29 g/mol | CAS Common Chemistry |
| 157.289 g/mol | RDKit | |
| 157.09229062999998 g/mol | RDKit | |
| Boiling Point | 77-81 °C @ Press: 6 Torr | CAS Common Chemistry |
| 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 |
| LogP | 1.4437 | RDKit |
| Molar Refractivity | 44.29300000000001 | RDKit |
