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Molecule
N-Vinylpyrrolidone
CAS: 88-12-0 · C6H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88-12-0
- Molecular Formula
- C6H9NO
- Molecular Mass
- 111.14 g/mol
Identifiers
CAS Registry Number
88-12-0
SMILES
C=CN1CCCC1=O
InChI Key
WHNWPMSKXPGLAX-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
Names and Synonyms
- N-Vinylpyrrolidone Common Name
- 2-Pyrrolidinone, 1-ethenyl- Synonym
- 2-Pyrrolidinone, 1-vinyl- Synonym
- 1-Ethenyl-2-pyrrolidinone Synonym
- N-Vinyl-2-pyrrolidinone Synonym
- 1-Vinyl-2-pyrrolidinone Synonym
- Vinylpyrrolidone Synonym
- N-Vinyl-2-pyrrolidone Synonym
- N-Vinylpyrrolidone Synonym
- 1-Vinyl-2-pyrrolidone Synonym
- Vinylpyrrolidinone Synonym
- 1-Vinylpyrrolidinone Synonym
- Vinylbutyrolactam Synonym
- V-Pyrol Synonym
- Aronix M 150 Synonym
- N-Vinylpyrrolin-2-one Synonym
- V-Pyrol RC Synonym
- N-VP Synonym
- NSC 10222 Synonym
- NSC 683040 Synonym
- NVP 300 Synonym
- N-V 2RC Synonym
- V-Pyro 4RC Synonym
- Vinyl-2-pyrrolidone Synonym
- MAK 706 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.14 g/mol | CAS Common Chemistry |
| 111.14399999999999 g/mol | RDKit | |
| 111.144 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.04 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Vinylpyrrolidone | 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 |
| 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.7523 | RDKit |
| Molar Refractivity | 31.143999999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 111.068413908 g/mol | RDKit |
| Boiling Point | 193 °C @ 400 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
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MW = 111.14 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9NO.
