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1422136-67-1 | 3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CAS No: 1422136-67-1 Catalog No: AG01DKFI MDL No:
Product Description
Catalog Number:
AG01DKFI
Chemical Name:
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CAS Number:
1422136-67-1
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
InChI:
InChI=1S/C13H17N3O/c17-12-11(10-1-5-14-6-2-10)9-13(16-12)3-7-15-8-4-13/h1-2,5-6,11,15H,3-4,7-9H2,(H,16,17)
InChI Key:
FYVIISGTBZFMTH-UHFFFAOYSA-N
SMILES:
O=C1NC2(CC1c1ccncc1)CCNCC2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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