Diethyl 5-cyano-3-methyl-1h-pyrrole-2,4-dicarboxylate
Basic information
- CAS
18711-56-3- Standard SMILES
CCOC(=O)c1[nH]c(C#N)c(C(=O)OCC)c1C- InChIKey
QEKNGELQKIGWKC-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- Diethyl 5-cyano-3-methyl-1h-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 5-cyano-3-methyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
diethyl 5-cyano-3-methyl-1h-pyrrole-2,4-dicarboxylate18711-56-3NSC17446Oprea1_249758DTXSID30280570NSC-17446DS-007483AG-205/07861043SR-01000508022SR-01000508022-1
Database identifiers
- CAS
18711-56-3- PubChem CID
- 226732
- DTXSID
DTXSID30280570
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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