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Molecule
Cyclopropanecarboxamide
CAS: 6228-73-5 · C4H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6228-73-5
- Molecular Formula
- C4H7NO
- Molecular Mass
- 85.11 g/mol
Identifiers
CAS Registry Number
6228-73-5
SMILES
N=C(O)C1CC1
InChI Key
AIMMVWOEOZMVMS-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
Names and Synonyms
- Cyclopropanecarboxamide Synonym
- Cyclopropanecarboxamide Synonym
- Carbamoylcyclopropane Synonym
- Cyclopropylcarboxamide Synonym
- NSC 402033 Synonym
- 1-Cyclopropanecarboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.11 g/mol | CAS Common Chemistry |
| 85.10600000000001 g/mol | RDKit | |
| 85.106 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=AIMMVWOEOZMVMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 223.5-224.5 °C | CAS Common Chemistry |
| Name | Cyclopropanecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.93167 | RDKit |
| 0.9317 | RDKit | |
| Molar Refractivity | 23.079499999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 85.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 85.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO.
