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Molecule
Pivalamide
CAS: 754-10-9 · C5H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 754-10-9
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
754-10-9
SMILES
CC(C)(C)C(=N)O
InChI Key
XIPFMBOWZXULIA-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
Names and Synonyms
- Pivalamide Common Name
- Propanamide, 2,2-dimethyl- Synonym
- Pivalamide Synonym
- 2,2-Dimethylpropanamide Synonym
- Trimethylacetamide Synonym
- 2,2-Dimethylpropionamide Synonym
- α,α-Dimethylpropionamide Synonym
- Pivalic acid amide Synonym
- NSC 17584 Synonym
- Neopentanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.14899999999999 g/mol | RDKit | |
| 101.149 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pivalamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=XIPFMBOWZXULIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | 2,2-Dimethylpropanamide | CAS Common Chemistry |
| Pivalamide | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 1.5677699999999999 | RDKit |
| 1.5678 | RDKit | |
| Molar Refractivity | 29.810499999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 101.084063972 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
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Quick conversion
MW = 101.15 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
