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1000577-71-8 | 5H-Pyrrolo[1,2-a][1,4]diazepin-5-one, octahydro-
CAS No: 1000577-71-8 Catalog No: AG0000RR MDL No:MFCD09878662
Product Description
Catalog Number:
AG0000RR
Chemical Name:
5H-Pyrrolo[1,2-a][1,4]diazepin-5-one, octahydro-
CAS Number:
1000577-71-8
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD09878662
IUPAC Name:
1,2,3,4,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-5-one
InChI:
InChI=1S/C8H14N2O/c11-8-3-4-9-6-7-2-1-5-10(7)8/h7,9H,1-6H2
InChI Key:
AKLGFFJQGYPBOC-UHFFFAOYSA-N
SMILES:
O=C1CCNCC2N1CCC2
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:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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