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Home > Other Heterocycles > 2060051-03-6
2060051-03-6 | 8-[1-(propan-2-yl)-1H-pyrazol-5-yl]-6-azaspiro[3.4]octan-5-one
CAS No: 2060051-03-6 Catalog No: AG01BZUC MDL No:MFCD30486854
Product Description
Catalog Number:
AG01BZUC
Chemical Name:
8-[1-(propan-2-yl)-1H-pyrazol-5-yl]-6-azaspiro[3.4]octan-5-one
CAS Number:
2060051-03-6
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD30486854
IUPAC Name:
8-(2-propan-2-ylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C13H19N3O/c1-9(2)16-11(4-7-15-16)10-8-14-12(17)13(10)5-3-6-13/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,14,17)
InChI Key:
BVLLKTCCOOBOSV-UHFFFAOYSA-N
SMILES:
CC(n1nccc1C1CNC(=O)C21CCC2)C
Properties
Complexity:
325
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:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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