2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
Basic information
- CAS
94386-21-7- Standard SMILES
Cn1cccc1C=C1CCCC(=Cc2cccn2C)C1=O- InChIKey
VTZLPXIVTAFLQG-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 2,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
- IUPAC
- 2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
Names & synonyms
2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]cyclohexan-1-oneDTXSID801199775NS000666822,6-Bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone
Database identifiers
- CAS
94386-21-7- PubChem CID
- 216435
- DTXSID
DTXSID801199775
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
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Compound notes
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