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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 Weight:
85.10600000000001 g/mol
Names and Synonyms:
Cyclopropanecarboxamide
Synonym
Cyclopropanecarboxamide
Synonym
Carbamoylcyclopropane
Synonym
Cyclopropylcarboxamide
Synonym
NSC 402033
Synonym
1-Cyclopropanecarboxamide
Synonym
Identifiers:
SMILES:
N=C(O)C1CC1
InChI:
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 85.10600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.08 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.93167 | RDKit |
| molecular_mass | 85.11 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=AIMMVWOEOZMVMS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 223.5-224.5 °C None | Legacy Database |
| cas-name | Cyclopropanecarboxamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.079499999999992 | RDKit |