tert-Butyl 4-(4-nitrophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C=C(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
COXOPILYAUZISZ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-nitrophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl 4-(4-nitrophenyl)-2,3-dihydropyrrole-1-carboxylate
Names & synonyms
SCHEMBL14577433COXOPILYAUZISZ-UHFFFAOYSA-Ntert-Butyl 4-(4-nitrophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
Database identifiers
- PubChem CID
- 71209487
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
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Related reactions
4 records
Compound notes
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