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191040-99-0 | Azepino[1,2-b]isoquinolin-5(7H)-one, 8,9,10,11,11a,12-hexahydro-
CAS No: 191040-99-0 Catalog No: AG002F0O MDL No:
Product Description
Catalog Number:
AG002F0O
Chemical Name:
Azepino[1,2-b]isoquinolin-5(7H)-one, 8,9,10,11,11a,12-hexahydro-
CAS Number:
191040-99-0
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
8,9,10,11,11a,12-hexahydro-7H-azepino[1,2-b]isoquinolin-5-one
InChI:
InChI=1S/C14H17NO/c16-14-13-8-4-3-6-11(13)10-12-7-2-1-5-9-15(12)14/h3-4,6,8,12H,1-2,5,7,9-10H2
InChI Key:
PCDQGMSWNBACKO-UHFFFAOYSA-N
SMILES:
O=C1N2CCCCCC2Cc2c1cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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