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N-Vinylpyrrolidone
CAS: 88-12-0 | C6H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
88-12-0
Molecular Formula:
C6H9NO
Molecular Weight:
111.14399999999999 g/mol
Names and Synonyms:
N-Vinylpyrrolidone
MAK 706
Vinyl-2-pyrrolidone
V-Pyro 4RC
N-V 2RC
NVP 300
NSC 683040
NSC 10222
N-VP
V-Pyrol RC
N-Vinylpyrrolin-2-one
Aronix M 150
V-Pyrol
Vinylbutyrolactam
1-Vinylpyrrolidinone
Vinylpyrrolidinone
1-Vinyl-2-pyrrolidone
N-Vinylpyrrolidone
N-Vinyl-2-pyrrolidone
Vinylpyrrolidone
1-Vinyl-2-pyrrolidinone
N-Vinyl-2-pyrrolidinone
1-Ethenyl-2-pyrrolidinone
2-Pyrrolidinone, 1-vinyl-
2-Pyrrolidinone, 1-ethenyl-
Identifiers:
SMILES:
C=CN1CCCC1=O
InChI:
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 111.14399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7523 | RDKit |
| molecular_mass | 111.14 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Vinylpyrrolidone None | Legacy Database |
| cas-boiling-point | 193 °C @ Press: 400 Torr None | Legacy Database |
| cas-canonical-smile | O=C1N(C=C)CCC1 None | Legacy Database |
| cas-density | 1.04 g/cm3 @ Temp: 24 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WHNWPMSKXPGLAX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 13.5 °C None | Legacy Database |
| cas-name | N-Vinyl-2-pyrrolidone None | Legacy Database |
| wikipedia-name | N-Vinylpyrrolidone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.143999999999988 | RDKit |
