Basic information
- CAS
110035-75-1- Standard SMILES
[C-]#[N+]Cc1nc(C2CC2)no1- InChIKey
KFVVSDPKGPUSEL-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 3-Cyclopropyl-5-(isocyanomethyl)-1,2,4-oxadiazole
- IUPAC
- 3-cyclopropyl-5-(isocyanomethyl)-1,2,4-oxadiazole
Names & synonyms
110035-75-13-Cyclopropyl-5-(isocyanomethyl)-1,2,4-oxadiazole3-cyclopropyl-5-isocyanomethyl-1,2,4-oxadiazoleSCHEMBL7279207DTXSID90628878KFVVSDPKGPUSEL-UHFFFAOYSA-N
Database identifiers
- CAS
110035-75-1- PubChem CID
- 22912924
- DTXSID
DTXSID90628878
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Related reactions
16 records
Compound notes
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