1,3a-Dimethyloctahydrocyclopenta[b]pyrrole
Basic information
- CAS
87390-49-6- Standard SMILES
CN1CCC2(C)CCCC12- InChIKey
LUAOARODKFCGSE-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- 1,3a-Dimethyloctahydrocyclopenta[b]pyrrole
- IUPAC
- 1,3a-dimethyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
Names & synonyms
87390-49-61,3a-Dimethyloctahydrocyclopenta[b]pyrroleSCHEMBL10729594DTXSID30603068
Database identifiers
- CAS
87390-49-6- PubChem CID
- 20157789
- DTXSID
DTXSID30603068
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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