Chemical ID: 5151281

CC1C[N+](CC(C1=O)C)(C)C
Chemical ID:
5151281
Name [?]:
1,1,3,5-tetramethyl-2,3,5,6-tetrahydropyridin-4-one
SMILES [?]:
CC1C[N+](CC(C1=O)C)(C)C
InChi [?]:
InChI=1/C9H18NO/c1-7-5-10(3,4)6-8(2)9(7)11/h7-8H,5-6H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,10,11,3,5,2,6,7,4,8/E:(1,2)(3,4)(5,6)(7,8)/CRV:10+1/rA:11cCCCN+CCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s6;s4;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18NO+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:-23.4968
Area:313.691
Solvation:-31.3391
Coulombic:21.4317
Bond Count [?]
All:11
Single:10
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:156.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-1.2
LogP (Chemaxon):-3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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