2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
Basic information
- CAS
132298-15-8- Standard SMILES
CC1=CC(=O)C=C(C)C1=N- InChIKey
UHVVLGDTSBKXLE-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
- IUPAC
- 4-imino-3,5-dimethylcyclohexa-2,5-dien-1-one
Names & synonyms
2,6-Dimethylquinoneimine2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-3,5-Dimethyl-4-imino-2,5-cyclohexadien-1-one132298-15-8DTXSID80157465RefChem:247171DTXCID20799564-imino-3,5-dimethylcyclohexa-2,5-dien-1-oneSCHEMBL107870812,6-dimethyl-1,4-benzoquinone imine
Database identifiers
- CAS
132298-15-8- PubChem CID
- 3076715
- DTXSID
DTXSID80157465- Nikkaji
- J954.166G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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