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Home > Other Heterocycles > 1422141-42-1
1422141-42-1 | 3-(3-oxo-2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
CAS No: 1422141-42-1 Catalog No: AG01DHD4 MDL No:
Product Description
Catalog Number:
AG01DHD4
Chemical Name:
3-(3-oxo-2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
CAS Number:
1422141-42-1
Molecular Formula:
C14H15N3O
Molecular Weight:
241.2884
IUPAC Name:
3-(3-oxo-2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
InChI:
InChI=1S/C14H15N3O/c15-8-11-2-1-3-12(6-11)17-10-14(7-13(17)18)4-5-16-9-14/h1-3,6,16H,4-5,7,9-10H2
InChI Key:
JHHPPYQMEFEWMS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CC2(CC1=O)CNCC2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.294g/mol
Monoisotopic Mass:
241.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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