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Home Other Building Blocks 1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one

1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one

CAS No.:
62756-24-5
Catalog Number:
AG01A2OH
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
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Product Description
Catalog Number:
AG01A2OH
Chemical Name:
1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CAS Number:
62756-24-5
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD02327479
IUPAC Name:
1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
InChI:
InChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3
InChI Key:
DCENWWFAIVPRAC-UHFFFAOYSA-N
SMILES:
CN1CCC2(CC1)CC(=O)c1c(O2)cccc1
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties