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Home > Other Heterocycles > 66276-09-3
66276-09-3 | N-methyl-4-oxo-3-azabicyclo[5.4.0]undeca-7,9,11-triene-3-carboxamide
CAS No: 66276-09-3 Catalog No: AG006O5M MDL No:
Product Description
Catalog Number:
AG006O5M
Chemical Name:
N-methyl-4-oxo-3-azabicyclo[5.4.0]undeca-7,9,11-triene-3-carboxamide
CAS Number:
66276-09-3
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide
InChI:
InChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)
InChI Key:
YAQRYOIJMHIUCO-UHFFFAOYSA-N
SMILES:
CNC(=O)N1Cc2ccccc2CCC1=O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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