Basic information
- Standard SMILES
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1- InChIKey
SIVWNWQUUDHRMU-UHFFFAOYSA-N- Molecular formula
- C19H15FN2O
- Average molar mass
- 306.3 g/mol
Names & identifiers
- Preferred name
- 5'-(3-Cyano-5-fluorophenyl)-spiro [cyclopentane-1,3'-[3H]indol]-2'(1'H)-one
- IUPAC
- 3-fluoro-5-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzonitrile
Names & synonyms
CHEMBL117461SCHEMBL3521863SIVWNWQUUDHRMU-UHFFFAOYSA-NBDBM501211675'-(3-Cyano-5-fluorophenyl)-spiro [cyclopentane-1,3'-[3H]indol]-2'(1'H)-one5'-(3-Cyano-5-fluorophenyl)-spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one5'-(3Cyano-5-fluorophenyl)-spiro [cyclopentane-1,3'-[3H]indol]-2'(1'H)-one5-fluoro-3-(2''-oxo-1'',2''-dihydrospiro[cyclopentane-1,3''-indol]-5''-yl)benzonitrile
Database identifiers
- PubChem CID
- 21986260
- ChEMBL
CHEMBL117461- Nikkaji
- J1.826.868J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 533
Related reactions
13 records
Compound notes
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