2-(1H-indol-5-ylmethylidene)propanedinitrile
Basic information
- CAS
133550-09-1- Standard SMILES
N#CC(C#N)=Cc1ccc2[nH]ccc2c1- InChIKey
WXKRFPWLMFBHAV-UHFFFAOYSA-N- Molecular formula
- C12H7N3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.06399724
Names & identifiers
- Preferred name
- 2-(1H-indol-5-ylmethylidene)propanedinitrile
- IUPAC
- 2-(1H-indol-5-ylmethylidene)propanedinitrile
Names & synonyms
133550-09-1Propanedinitrile, (1H-indol-5-ylmethylene)-2-(1H-indol-5-ylmethylidene)propanedinitrileTyrphostin deriv. 13BDBM4282CHEMBL294213SCHEMBL3791649DTXSID20416169AKOS006293071[(1H-Indol-5-yl)methylidene]propanedinitrile
Database identifiers
- CAS
133550-09-1- PubChem CID
- 5328751
- DTXSID
DTXSID20416169- ChEMBL
CHEMBL294213- Nikkaji
- J412.898B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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