Homothallin II
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Basic information
- CAS
157566-63-7- Standard SMILES
C=CC1(O)CC(C#N)=CC1=O- InChIKey
GFDNNKCENLWCOQ-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Overview
an isonitrile antibiotic; produced by Trichoderma harzianum; structure given in first source
Names & identifiers
- Preferred name
- Homothallin II
- IUPAC
- 4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile
- English name
- homothallin II
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
Homothallin II157566-63-75-Ethenyl-5-hydroxy-3-isocyano-2-cyclopenten-1-one4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile1-Cyclopentene-1-carbonitrile, 4-ethenyl-4-hydroxy-3-oxo-RefChem:146776DTXSID709357144-ETHENYL-4-HYDROXY-3-OXOCYCLOPENT-1-ENE-1-CARBONITRILE
Database identifiers
- CAS
157566-63-7- PubChem CID
- 197679
- DTXSID
DTXSID70935714- Nikkaji
- J607.007H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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