Back to Search
Molecule
(+)-2,2-Dimethylcyclopropanecarboxamide
CAS: 75885-58-4 · C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75885-58-4
- Molecular Formula
- C6H11NO
- Molecular Mass
- 113.16 g/mol
Identifiers
CAS Registry Number
75885-58-4
SMILES
CC1(C)C[C@@H]1C(=N)O
InChI Key
YBZQRYWKYBZZNT-SCSAIBSYSA-N
InChI
InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1
Names and Synonyms
- (+)-2,2-Dimethylcyclopropanecarboxamide Systematic Name
- Cyclopropanecarboxamide, 2,2-dimethyl-, (1S)- Synonym
- Cyclopropanecarboxamide, 2,2-dimethyl-, (S)- Synonym
- (1S)-2,2-Dimethylcyclopropanecarboxamide Synonym
- (+)-2,2-Dimethylcyclopropanecarboxamide Synonym
- S-(+)-2,2-Dimethylcyclopropane-1-carboxamide Synonym
- S-(+)-2,2-Dimethylcyclopropanecarboxamide Synonym
- (S)-2,2-Dimethylcyclopropanecarboxamide Synonym
- (1S)-2,2-Dimethylcyclopropane-1-carboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.16 g/mol | CAS Common Chemistry |
| 113.15999999999998 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1CC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YBZQRYWKYBZZNT-SCSAIBSYSA-N | CAS Common Chemistry |
| Name | (+)-2,2-Dimethylcyclopropanecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 1.5677699999999999 | RDKit |
| 1.5678 | RDKit | |
| Molar Refractivity | 32.24349999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 113.084063972 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
Convert
Quick conversion
MW = 113.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO.
