Back to Search
Molecule
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
Identifiers
CAS Registry Number
930-21-2
SMILES
OC1=NCC1
InChI Key
MNFORVFSTILPAW-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
Names and Synonyms
- 2-Azetidinone Synonym
- 2-Azetidinone Synonym
- β-Alanine, lactam Synonym
- β-Propiolactam Synonym
- 2-Azetidone Synonym
- Propiolactam Synonym
- 3-Aminopropionic acid lactam Synonym
- 3-Aminopropanoic acid lactam Synonym
- 2-Oxoazetidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.08 g/mol | CAS Common Chemistry |
| 71.07900000000001 g/mol | RDKit | |
| 71.079 g/mol | RDKit | |
| 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 |
| 0.3466 | RDKit | |
| Molar Refractivity | 19.547799999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 71.03711378 g/mol | RDKit |
| Boiling Point | 106 °C @ 15 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
Convert
Quick conversion
MW = 71.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5NO.
