Basic information
- CAS
58322-97-7- Standard SMILES
Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@@H](NC(=O)CN3CCCC3)[C@H]1O2- InChIKey
OTXRXNZLIYUULF-VAMGGRTRSA-N- Molecular formula
- C20H26N2O3
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1943427
Names & identifiers
- Preferred name
- 1-Pyrrolidineacetamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, (4-alpha,4a-beta,9b-beta)-
- IUPAC
- N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-pyrrolidin-1-ylacetamide
Names & synonyms
58322-97-71-Pyrrolidineacetamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, (4-alpha,4a-beta,9b-beta)-RefChem:235159DTXSID40973860N-(8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)-2-(pyrrolidin-1-yl)ethanimidic acidN-[(4S,4aS,9bR)-8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl](pyrrolidin-1-yl)ethanimidic acid
Database identifiers
- CAS
58322-97-7- PubChem CID
- 3045101
- DTXSID
DTXSID40973860
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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