Home Other Building Blocks rac-(1R,2R,6S,7S)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione

rac-(1R,2R,6S,7S)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione

CAS No.:
166878-52-0
Catalog Number:
AG01EM0L
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01EM0L
Chemical Name:
rac-(1R,2R,6S,7S)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione
CAS Number:
166878-52-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31567055
IUPAC Name:
(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
InChI:
InChI=1S/C12H15NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h6-7,9-10H,3-4H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-
InChI Key:
MOTBPVCOQQBGNY-SWOGREBESA-N
SMILES:
O=C1NC(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1=C(C)C
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties