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Home > Other Heterocycles > 2059966-66-2
2059966-66-2 | 8-(1-ethyl-1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
CAS No: 2059966-66-2 Catalog No: AG01BZUB MDL No:MFCD30486853
Product Description
Catalog Number:
AG01BZUB
Chemical Name:
8-(1-ethyl-1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2059966-66-2
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD30486853
IUPAC Name:
8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C12H17N3O/c1-2-15-10(4-7-14-15)9-8-13-11(16)12(9)5-3-6-12/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16)
InChI Key:
WJGLWQKFBFQYEL-UHFFFAOYSA-N
SMILES:
CCn1nccc1C1CNC(=O)C21CCC2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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