Basic information
- Standard SMILES
COC(=O)C12CCCC1CN(Cc1ccccc1)C2- InChIKey
DFKYQTUJTMSPII-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester
- IUPAC
- methyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
Names & synonyms
885958-43-0Methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl estermethyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylateMFCD05662795methyl 2-benzyl-octahydrocyclopenta[c]pyrrole-3a-carboxylatemethyl 2-benzyloctahydrocyclopenta[c]pyrrole-3a-carboxylatestarbld0020040SCHEMBL1282150DFKYQTUJTMSPII-UHFFFAOYSA-NAKOS040694072DA-01543
Show more names
CS-0365082B64038H54636F755533
Database identifiers
- PubChem CID
- 4118328
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
3 records
Compound notes
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