Basic information
- Standard SMILES
COC(=O)C1=C(C(C)C)CC=C1c1c(C)ccnc1C- InChIKey
DWIHPBVQAUMOKY-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- Methyl 5-(2,4-dimethyl-3-pyridinyl)-2-(1-methylethyl)-1,4-cyclopentadiene-1-carboxylate
- IUPAC
- methyl 5-(2,4-dimethyl-3-pyridinyl)-2-propan-2-ylcyclopenta-1,4-diene-1-carboxylate
Names & synonyms
SCHEMBL2002437DWIHPBVQAUMOKY-UHFFFAOYSA-Nmethyl 5-(2,4-dimethyl-3-pyridinyl)-2-(1-methylethyl)-1,4-cyclopentadiene-1-carboxylate
Database identifiers
- PubChem CID
- 67243712
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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