Basic information
- Standard SMILES
COC(=O)c1[nH]c(C(C)(C)C)cc1[N+](=O)[O-]- InChIKey
ZGAJUAZWXUARIE-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
Names & identifiers
- Preferred name
- methyl 5-tert-butyl-3-nitro-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 5-tert-butyl-3-nitro-1H-pyrrole-2-carboxylate
Names & synonyms
methyl 5-tert-butyl-3-nitro-1H-pyrrole-2-carboxylateSCHEMBL3220272ZGAJUAZWXUARIE-UHFFFAOYSA-Nmethyl-5-t-butyl-3-nitropyrrole-2-carboylatemethyl 5-t-butyl-3-nitropyrrole-2-carboxylatemethyl-5-t-butyl-3-nitropyrrole-2-carboxylatemethyl 5-tert-butyl-3-nitropyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 18322358
- Nikkaji
- J1.465.230B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
11 records
Compound notes
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