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Molecule
Cyclopropanecarbohydrazide
CAS: 6952-93-8 · C4H8N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6952-93-8
- Molecular Formula
- C4H8N2O
- Molecular Mass
- 100.12 g/mol
Identifiers
CAS Registry Number
6952-93-8
SMILES
NN=C(O)C1CC1
InChI Key
JFYKIEHOOZWARC-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7)
Names and Synonyms
- Cyclopropanecarbohydrazide Common Name
- 1-(Cyclopropylcarbonyl)hydrazine Synonym
- Cyclopropanecarboxylic acid, hydrazide Synonym
- Cyclopropanecarbohydrazide Synonym
- (Cyclopropylcarbonyl)hydrazine Synonym
- NSC 70850 Synonym
- Cyclopropanecarboxylic hydrazide Synonym
- N-(Cyclopropylcarbonyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.12 g/mol | CAS Common Chemistry |
| 100.121 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=JFYKIEHOOZWARC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98-99 °C | CAS Common Chemistry |
| Name | Cyclopropanecarbohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 0.22659999999999964 | RDKit |
| 0.2266 | RDKit | |
| Molar Refractivity | 26.975199999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 100.063662876 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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MW = 100.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O.
