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2-Azetidinone
CAS: 930-21-2 | C3H5NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
930-21-2
Molecular Formula:
C3H5NO
Molecular Mass:
71.08 g/mol
Names and Synonyms:
2-Azetidinone
2-Azetidinone
β-Alanine, lactam
β-Propiolactam
2-Azetidone
Propiolactam
3-Aminopropionic acid lactam
3-Aminopropanoic acid lactam
2-Oxoazetidine
Identifiers:
SMILES:
OC1=NCC1
InChI:
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
Key Properties
Boiling Point
106 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
73-74 °C
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 | 71.08 g/mol | CAS Common Chemistry |
| 71.07900000000001 g/mol | RDKit | |
| 71.03711378 g/mol | RDKit | |
| Boiling Point | 106 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1NCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=MNFORVFSTILPAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73-74 °C | CAS Common Chemistry |
| Name | 2-Azetidinone | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.34659999999999996 | RDKit |
| Molar Refractivity | 19.547799999999995 | RDKit |
