Basic information
- Standard SMILES
O=C(O)c1ccc(C2=CCCC2)c(OCC2CC2)n1- InChIKey
ZFVATUMPQQXAJX-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 5-Cyclopentenyl-6-(cyclopropylmethoxy)-pyridine-2-carboxylic acid
- IUPAC
- 5-(cyclopenten-1-yl)-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14151958ZFVATUMPQQXAJX-UHFFFAOYSA-N5-Cyclopentenyl-6-(cyclopropylmethoxy)-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 71087445
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
6 records
Compound notes
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