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Home > Other Heterocycles > 2059947-56-5
2059947-56-5 | 8-(1-propyl-1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
CAS No: 2059947-56-5 Catalog No: AG01BZUE MDL No:MFCD30486857
Product Description
Catalog Number:
AG01BZUE
Chemical Name:
8-(1-propyl-1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2059947-56-5
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD30486857
IUPAC Name:
8-(2-propylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C13H19N3O/c1-2-8-16-11(4-7-15-16)10-9-14-12(17)13(10)5-3-6-13/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChI Key:
LLWBUEIULDPTIF-UHFFFAOYSA-N
SMILES:
CCCn1nccc1C1CNC(=O)C21CCC2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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