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4-Hydroxy-2-Pyrrolidinone
CAS: 25747-41-5 | C4H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25747-41-5
Molecular Formula:
C4H7NO2
Molecular Mass:
101.10 g/mol
Names and Synonyms:
4-Hydroxy-2-Pyrrolidinone
2-Pyrrolidinone, 4-hydroxy-
4-Hydroxy-2-pyrrolidinone
γ-Amino-β-hydroxybutyric lactam
β-Hydroxy-γ-aminobutyrolactam
4-Hydroxy-2-pyrrolidone
DL-2-Oxo-4-hydroxypyrrolidine
(±)-4-Hydroxypyrrolidone
Identifiers:
SMILES:
OC1=NCC(O)C1
InChI:
InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)
Key Properties
Boiling Point
130-150 °C @ Press: 0.05-0.1 Torr
CAS Common Chemistry
Melting Point
85 °C @ Solvent: Ethyl acetate
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 | 101.10 g/mol | CAS Common Chemistry |
| 101.10499999999999 g/mol | RDKit | |
| 101.047678464 g/mol | RDKit | |
| Boiling Point | 130-150 °C @ Press: 0.05-0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1NCC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7) | CAS Common Chemistry |
| InChI Key | InChIKey=IOGISYQVOGVIEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 4-Hydroxy-2-pyrrolidinone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | -0.2925000000000002 | RDKit |
| Molar Refractivity | 25.554599999999994 | RDKit |
