Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-
Basic information
- CAS
127654-15-3- Standard SMILES
CN1C(=O)c2cnccc2/C(=C\CCCCC(=O)O)c2ccccc21- InChIKey
UKHKHPFITHJEEB-VGOFMYFVSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-
- IUPAC
- (6E)-6-(6-methyl-5-oxopyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid
Names & synonyms
Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-127654-15-3RefChem:1086622(E)-5-(5-Carboxypentylidene)-10-methyl-5,11-dihydropyrido(3,4-c)(1)benzazepin-11(10H)-oneSCHEMBL9040163
Database identifiers
- CAS
127654-15-3- PubChem CID
- 6449705
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
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Compound notes
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