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Chemical ID: 4181922
Chemical ID:
4181922
Name [?]:
1,5-ditert-butyl-2,6-dihydropyridin-3-one
SMILES [?]:
CC(C)(C)C1=CC(=O)CN(C1)C(C)(C)C
InChi [?]:
InChI=1/C13H23NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h7H,8-9H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,15,6,11,9,5,7,2,12,10,8/E:(1,2,3)(4,5,6)/rA:15cCCCCCCCOCNCCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s7;s9;s5s10;s10;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.0118 |
Area: | 393.157 |
Solvation: | -1.81713 |
Coulombic: | -14.3328 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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