Back to Search
Molecule
Cyclopentanone, Oxime
CAS: 1192-28-5 · C5H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1192-28-5
- Molecular Formula
- C5H9NO
- Molecular Mass
- 99.13 g/mol
Identifiers
CAS Registry Number
1192-28-5
SMILES
ON=C1CCCC1
InChI Key
YGNXYFLJZILPEK-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
Names and Synonyms
- Cyclopentanone, Oxime Systematic Name
- Cyclopentanone, oxime Synonym
- Cyclopentanone oxime Synonym
- NSC 3164 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.13 g/mol | CAS Common Chemistry |
| 99.13300000000001 g/mol | RDKit | |
| 99.133 g/mol | RDKit | |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | ON=C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YGNXYFLJZILPEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57.8 °C | CAS Common Chemistry |
| Name | Cyclopentanone, oxime | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.3906 | RDKit |
| Molar Refractivity | 27.689499999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 99.068413908 g/mol | RDKit |
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 = 99.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO.
