methyl 5-(3-tert-butoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Basic information
- Standard SMILES
COC(=O)c1ccc(CCC(=O)OC(C)(C)C)[nH]1- InChIKey
PNOLZJSZLFUQIS-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
Names & identifiers
- Preferred name
- methyl 5-(3-tert-butoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylate
Names & synonyms
1041430-17-4Methyl 5-(3-(tert-butoxy)-3-oxopropyl)-1H-pyrrole-2-carboxylatemethyl 5-(3-tert-butoxy-3-oxopropyl)-1H-pyrrole-2-carboxylatemethyl 5-[3-(tert-butoxy)-3-oxopropyl]-1H-pyrrole-2-carboxylatestarbld0004584SCHEMBL1003459PNOLZJSZLFUQIS-UHFFFAOYSA-NDB-370915
Database identifiers
- PubChem CID
- 66873239
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
4 records
Compound notes
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