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Home > Other Heterocycles > 2059966-81-1
2059966-81-1 | 4-(1-propyl-1H-pyrazol-5-yl)-2-azaspiro[4.4]nonan-1-one
CAS No: 2059966-81-1 Catalog No: AG01BZUM MDL No:MFCD30486866
Product Description
Catalog Number:
AG01BZUM
Chemical Name:
4-(1-propyl-1H-pyrazol-5-yl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059966-81-1
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD30486866
IUPAC Name:
4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C14H21N3O/c1-2-9-17-12(5-8-16-17)11-10-15-13(18)14(11)6-3-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,15,18)
InChI Key:
JHEISGABXKQJAY-UHFFFAOYSA-N
SMILES:
CCCn1nccc1C1CNC(=O)C21CCCC2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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