N-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)benzamide
Basic information
- CAS
511312-45-1- Standard SMILES
O=C(Nc1cc2c(oc1=O)CCCCC2)c1ccccc1- InChIKey
FVATVTGQJFDRRQ-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- N-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)benzamide
- IUPAC
- N-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)benzamide
Names & synonyms
NSC691647N-(2-Oxo-2,5,6,7,8,9-hexahydrocyclohepta[b]pyran-3-yl)benzamideN-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)benzamide511312-45-1DTXSID50327830NSC-691647
Database identifiers
- CAS
511312-45-1- PubChem CID
- 391960
- DTXSID
DTXSID50327830- Nikkaji
- J1.823.477G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 498
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Compound notes
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