Home Other Building Blocks 2,9-diazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-8-one

2,9-diazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-8-one

CAS No.:
1432681-05-4
Catalog Number:
AG01A4X3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG01A4X3
Chemical Name:
2,9-diazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-8-one
CAS Number:
1432681-05-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD21840711
IUPAC Name:
5,7,7a,8,9,10-hexahydropyrrolo[1,2-a][1,5]benzodiazepin-6-one
InChI:
InChI=1S/C12H14N2O/c15-12-8-9-4-3-7-14(9)11-6-2-1-5-10(11)13-12/h1-2,5-6,9H,3-4,7-8H2,(H,13,15)
InChI Key:
HLSMUBIYKJJRJH-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2N2C(C1)CCC2
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties