Basic information
- Standard SMILES
CC(=O)OCC1(CC#N)CC1- InChIKey
HRAHGWMJOHYHQZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
Names & identifiers
- Preferred name
- (1-(Cyanomethyl)cyclopropyl)methyl acetate
- IUPAC
- [1-(cyanomethyl)cyclopropyl]methyl acetate
Names & synonyms
90087-10-8(1-(Cyanomethyl)cyclopropyl)methyl acetate[1-(cyanomethyl)cyclopropyl]methyl acetate[1-(cyanomethyl) cyclopropyl]methyl acetateSCHEMBL5645134HRAHGWMJOHYHQZ-UHFFFAOYSA-N(1-(Cyanomethyl)cyclopropyl)methylacetateDB-362505
Database identifiers
- PubChem CID
- 25103166
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 209
Related reactions
2 records
Compound notes
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