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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
Names and Synonyms:
Cyclopropanecarboxamide
Cyclopropanecarboxamide
Carbamoylcyclopropane
Cyclopropylcarboxamide
NSC 402033
1-Cyclopropanecarboxamide
Identifiers:
SMILES:
N=C(O)C1CC1
InChI:
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
Key Properties
Melting Point
223.5-224.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.11 g/mol | CAS Common Chemistry |
| 85.10600000000001 g/mol | RDKit | |
| 85.052763844 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 |
| Molar Refractivity | 23.079499999999992 | RDKit |
