Basic information
- CAS
59235-27-7- Standard SMILES
CCOC(=O)Cc1ccc(N2CC=CC2)cc1- InChIKey
RAQHRNZSOAQGIK-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- Ethyl [4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetate
- IUPAC
- ethyl 2-[4-(2,5-dihydropyrrol-1-yl)phenyl]acetate
Names & synonyms
59235-27-7Ethyl 2-(4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetateEthyl [4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetateDTXSID20787200
Database identifiers
- CAS
59235-27-7- PubChem CID
- 71363687
- DTXSID
DTXSID20787200
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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