4-PHENYL-DELTA-VALEROLACTAM

1. Names and Identifiers

1.2 Synonyms: 4-PHENYL-DELTA-VALEROLACTAM; 5-phenyl-2-piperidinone; 5-phenyl-2-piperidone; 5-Phenylpiperidin-2-one;

1.6 Inchi: InChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)

2. MSDS

no data available

no data available

3. Synthesis Route

3973-63-5Total: 4 Synthesis Route

88611-73-8

3973-63-5 2 Suppliers

61782-31-8

3973-63-5 2 Suppliers

4. Precursor and Product

precursor:

88611-73-8

105909-96-4

61782-31-8

107522-01-0

product:

3973-62-4

96314-26-0

5. Computed Properties

Molecular Weight：175.231g/mol
Molecular Formula：C₁₁H₁₃NO
Compound Is Canonicalized：True
Exact Mass：1.4
XLogP3-AA：175.099714038
Monoisotopic Mass：175.099714038
Complexity：185
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：29.1
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADQDBmAQwAILAAACIAiFSEAACAAAgAAAIiIEIAIgIIDKAkRGEIAAglgCIiAcYicCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==