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Chemical ID: 5151281
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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