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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 Mass:
111.14 g/mol
Names and Synonyms:
N-Vinylpyrrolidone
2-Pyrrolidinone, 1-ethenyl-
2-Pyrrolidinone, 1-vinyl-
1-Ethenyl-2-pyrrolidinone
N-Vinyl-2-pyrrolidinone
1-Vinyl-2-pyrrolidinone
Vinylpyrrolidone
N-Vinyl-2-pyrrolidone
N-Vinylpyrrolidone
1-Vinyl-2-pyrrolidone
Vinylpyrrolidinone
1-Vinylpyrrolidinone
Vinylbutyrolactam
V-Pyrol
Aronix M 150
N-Vinylpyrrolin-2-one
V-Pyrol RC
N-VP
NSC 10222
NSC 683040
NVP 300
N-V 2RC
V-Pyro 4RC
Vinyl-2-pyrrolidone
MAK 706
Identifiers:
SMILES:
C=CN1CCCC1=O
InChI:
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
Key Properties
Boiling Point
193 °C @ Press: 400 Torr
CAS Common Chemistry
Melting Point
13.5 °C
CAS Common Chemistry
Density
1.04 g/cm³
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 | 111.14 g/mol | CAS Common Chemistry |
| 111.14399999999999 g/mol | RDKit | |
| 111.068413908 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.04 g/cm3 @ Temp: 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Vinylpyrrolidone | CAS Common Chemistry |
| Boiling Point | 193 °C @ Press: 400 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C=C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WHNWPMSKXPGLAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13.5 °C | CAS Common Chemistry |
| Name | N-Vinyl-2-pyrrolidone | CAS Common Chemistry |
| N-Vinylpyrrolidone | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 | 0.7523 | RDKit |
| Molar Refractivity | 31.143999999999988 | RDKit |
