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1422137-05-0 | (5S,6R)-1-allyl-6-ethyl-1,7-diazaspiro[4.5]decan-2-one
CAS No: 1422137-05-0 Catalog No: AG01DK8N MDL No:
Product Description
Catalog Number:
AG01DK8N
Chemical Name:
(5S,6R)-1-allyl-6-ethyl-1,7-diazaspiro[4.5]decan-2-one
CAS Number:
1422137-05-0
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
(5S,10R)-10-ethyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
InChI:
InChI=1S/C13H22N2O/c1-3-10-15-12(16)6-8-13(15)7-5-9-14-11(13)4-2/h3,11,14H,1,4-10H2,2H3/t11-,13+/m1/s1
InChI Key:
ZULYZEPAHPCQFI-YPMHNXCESA-N
SMILES:
C=CCN1C(=O)CC[C@@]21CCCN[C@@H]2CC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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