Basic information
- CAS
6331-31-3- Standard SMILES
CCCCOC(=O)C(C#N)=C1C=C(N)CC1- InChIKey
RALISPYEVZDUGA-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
- IUPAC
- butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
Names & synonyms
6331-31-3butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetateDTXSID00286706Butyl (3-aminocyclopent-2-en-1-ylidene)(cyano)acetate
Database identifiers
- CAS
6331-31-3- PubChem CID
- 240641
- DTXSID
DTXSID00286706
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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