Basic information
- Standard SMILES
CCCc1[nH]c(C)c(C)c1C(=O)OCC- InChIKey
BVJYPFNHYHPHLS-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
Names & identifiers
- Preferred name
- 2-n-Propyl-3-carbethoxy-4,5-dimethyl-pyrrole
- IUPAC
- ethyl 4,5-dimethyl-2-propyl-1H-pyrrole-3-carboxylate
Names & synonyms
SCHEMBL11651693BVJYPFNHYHPHLS-UHFFFAOYSA-N2-n-propyl-3-carbethoxy-4,5-dimethyl-pyrrole
Database identifiers
- PubChem CID
- 53703261
Properties
Computed structural properties
- XLogP
- 2.9
- 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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