Ethyl 5-cyano-4-methyl-1h-pyrrole-3-carboxylate
Basic information
- CAS
6317-43-7- Standard SMILES
CCOC(=O)c1c[nH]c(C#N)c1C- InChIKey
AOQRTLOXFDGSLX-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- Ethyl 5-cyano-4-methyl-1h-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-cyano-4-methyl-1H-pyrrole-3-carboxylate
Names & synonyms
ethyl 5-cyano-4-methyl-1h-pyrrole-3-carboxylate6317-43-7NSC39473DTXSID90284872NSC-39473
Database identifiers
- CAS
6317-43-7- PubChem CID
- 236703
- DTXSID
DTXSID90284872
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…