Basic information
- CAS
91912-29-7- Standard SMILES
COC(=O)C(C#N)=C1NCCN1- InChIKey
WQPGXYAMKDPXNH-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- Methyl 2-cyano-2-(2-imidazolidinylidene)acetate
- IUPAC
- methyl 2-cyano-2-imidazolidin-2-ylideneacetate
Names & synonyms
91912-29-7Methyl 2-cyano-2-(2-imidazolidinylidene)acetateRefChem:354213methyl cyano(imidazolidin-2-ylidene)acetatemethyl 2-cyano-2-imidazolidin-2-ylideneacetatemethyl 2-cyano-2-(imidazolidin-2-ylidene)acetateDTXSID401242938SBB088078AKOS006276128AA-516/25012166
Database identifiers
- CAS
91912-29-7- PubChem CID
- 816714
- DTXSID
DTXSID401242938
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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