Borreline
Basic information
- CAS
64643-94-3- Standard SMILES
C=C[C@@]1(C)CC(C)=N[C@@H]1C(=O)c1c[nH]c2ccccc12- InChIKey
WQTYIKZACFUZJB-SJORKVTESA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Overview
Borreline is a member of indoles.
Names & identifiers
- Preferred name
- Borreline
- IUPAC
- [(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
Names & synonyms
BORRELINE64643-94-3[(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanoneC09052AC1L9C2NCHEBI:3154SCHEMBL29460855DTXSID50331710Q27105958[(2S,3R)-3-Ethenyl-3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-yl](1H-indol-3-yl)methanone
Database identifiers
- CAS
64643-94-3- PubChem CID
- 441996
- DTXSID
DTXSID50331710- ChEBI
CHEBI:3154- Nikkaji
- J2.767.853J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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