Home Other Building Blocks DECAHYDROPYRROLO[3,4-B]AZEPIN-2-ONE

DECAHYDROPYRROLO[3,4-B]AZEPIN-2-ONE

CAS No.:
1824152-13-7
Catalog Number:
AG01DZ2Z
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
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Product Description
Catalog Number:
AG01DZ2Z
Chemical Name:
DECAHYDROPYRROLO[3,4-B]AZEPIN-2-ONE
CAS Number:
1824152-13-7
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD24526310
IUPAC Name:
3,4,5,5a,6,7,8,8a-octahydro-1H-pyrrolo[3,4-b]azepin-2-one
InChI:
InChI=1S/C8H14N2O/c11-8-3-1-2-6-4-9-5-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)
InChI Key:
ZHCJQQDBJATHJJ-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C(N1)CNC2
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties