Basic information
- CAS
62136-37-2- Standard SMILES
CCOC(=O)c1[nH]c(N)c(C#N)c1C- InChIKey
RAMYFANDVGHRTH-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- Ethyl 5-amino-4-cyano-3-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 5-amino-4-cyano-3-methyl-1H-pyrrole-2-carboxylate
Names & synonyms
Ethyl 5-amino-4-cyano-3-methyl-1H-pyrrole-2-carboxylate62136-37-2DTXSID60567689
Database identifiers
- CAS
62136-37-2- PubChem CID
- 15061925
- DTXSID
DTXSID60567689
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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