CID 136229079
Basic information
- CAS
86797-91-3- Standard SMILES
COC1=CC(c2ccc[nH]2)=NC1=Cc1[nH]c(C)c2c1C(C)CCC2- InChIKey
DSHIIBUGOWQFSO-UHFFFAOYSA-N- Molecular formula
- C20H23N3O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.18411237
Overview
CID 136229079 has been reported in Vibrio gazogenes with data available.
Names & identifiers
- Preferred name
- CID 136229079
- IUPAC
- 3-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
Database identifiers
- CAS
86797-91-3- PubChem CID
- 136229079
- DTXSID
DTXSID701345947
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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