Chemical ID: 5768349

CC(=O)N1C(CC=CC1CC=C)CC=C
Chemical ID:
5768349
Name [?]:
1-(2,6-diallyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILES [?]:
CC(=O)N1C(CC=CC1CC=C)CC=C
InChi [?]:
InChI=1/C13H19NO/c1-4-7-12-9-6-10-13(8-5-2)14(12)11(3)15/h4-6,9,12-13H,1-2,7-8,10H2,3H3
InChi Info:
AuxInfo=1/0/N:12,15,1,11,14,7,10,13,8,6,2,9,5,4,3/rA:15cCCONCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s4s8;s9;s10;d11;s5;s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.76339
Area:382.102
Solvation:-1.78916
Coulombic:-19.773
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.51
LogP (Chemaxon):2.19

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Descriptor Annotations

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