Back to Search
Molecule
1-Acetyl-4-Piperidone
CAS: 32161-06-1 · C7H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 32161-06-1
- Molecular Formula
- C7H11NO2
- Molecular Mass
- 141.17 g/mol
Identifiers
CAS Registry Number
32161-06-1
SMILES
CC(=O)N1CCC(=O)CC1
InChI Key
NNFOVLFUGLWWCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
Names and Synonyms
- 1-Acetyl-4-Piperidone Systematic Name
- 4-Piperidinone, 1-acetyl- Synonym
- 4-Piperidone, 1-acetyl- Synonym
- 1-Acetyl-4-piperidinone Synonym
- 1-Acetyl-4-piperidone Synonym
- 1-Acetyl-4-oxopiperidine Synonym
- N-Acetyl-4-piperidinone Synonym
- N-Acetyl-4-piperidone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.17 g/mol | CAS Common Chemistry |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.144 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N1CCC(=O)CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNFOVLFUGLWWCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Acetyl-4-piperidone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 0.1978000000000002 | RDKit |
| 0.1978 | RDKit | |
| Molar Refractivity | 36.495000000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 141.078978592 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 = 141.17 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H11NO2.
