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1-(2-Hydroxyethyl)-2-Pyrrolidinone
CAS: 3445-11-2 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3445-11-2
Molecular Formula:
C6H11NO2
Molecular Mass:
129.16 g/mol
Names and Synonyms:
1-(2-Hydroxyethyl)-2-Pyrrolidinone
2-Pyrrolidinone, 1-(2-hydroxyethyl)-
1-(2-Hydroxyethyl)-2-pyrrolidinone
N-(β-Hydroxyethyl)-2-pyrrolidinone
N-(2-Hydroxyethyl)-2-pyrrolidinone
1-(β-Hydroxyethyl)-2-pyrrolidone
1-(2-Hydroxyethyl)-2-pyrrolidone
N-(β-Hydroxyethyl)-2-pyrrolidone
N-(2-Hydroxyethyl)-2-pyrrolidone
N-(2-Hydroxyethyl)pyrrolidone
2-(2-Oxopyrrolidin-1-yl)ethanol
HEP
1-(2-Hydroxyethyl)-2-oxopyrrolidine
1-(2-Hydroxylethyl)-2-pyrrolidone
2-Hydroxyethylpyrrolidin-2-one
Identifiers:
SMILES:
O=C1CCCN1CCO
InChI:
InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2
Key Properties
Boiling Point
295 °C
CAS Common Chemistry
Melting Point
20 °C
CAS Common Chemistry
Density
1.14 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 | 129.16 g/mol | CAS Common Chemistry |
| 129.15900000000002 g/mol | RDKit | |
| 129.078978592 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.1435 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1N(CCO)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WDQFELCEOPFLCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C | CAS Common Chemistry |
| Name | 1-(2-Hydroxyethyl)-2-pyrrolidinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| LogP | -0.39889999999999975 | RDKit |
| Molar Refractivity | 32.899799999999985 | RDKit |
