Basic information
- Standard SMILES
CCOC(=O)c1[nH]c(C)cc1C(C)CC- InChIKey
TVUFEWDARVHURY-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-sec-butyl-5-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-butan-2-yl-5-methyl-1H-pyrrole-2-carboxylate
Names & synonyms
Ethyl 3-sec-butyl-5-methyl-1H-pyrrole-2-carboxylateSCHEMBL3146885TVUFEWDARVHURY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68528573
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Related reactions
2 records
Compound notes
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