Basic information
- Standard SMILES
CCOC(=O)C1(C(N)C#N)CC1- InChIKey
VPQAQQMJYXDFEN-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 1-(1-Amino-1-cyanomethyl)-1-ethoxycarbonylcyclopropane
- IUPAC
- ethyl 1-[amino(cyano)methyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL7862903VPQAQQMJYXDFEN-UHFFFAOYSA-N1-(1-Amino-1-cyanomethyl)-1-ethoxycarbonylcyclopropane
Database identifiers
- PubChem CID
- 11019253
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 237
Related reactions
7 records
Compound notes
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