Basic information
- Standard SMILES
COC(=O)c1c([N+](=O)[O-])cc(C(C)(C)C)n1C- InChIKey
PBFZVARLSANULU-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
Names & identifiers
- Preferred name
- Methyl 5-t-butyl-1-methyl-3-nitropyrrole-2-carboxylate
- IUPAC
- methyl 5-tert-butyl-1-methyl-3-nitropyrrole-2-carboxylate
Names & synonyms
SCHEMBL3227340PBFZVARLSANULU-UHFFFAOYSA-Nmethyl 5-t-butyl-1-methyl-3-nitropyrrole-2-carboxylatemethyl 5-tert-butyl-1-methyl-3-nitropyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 18322374
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Related reactions
4 records
Compound notes
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