Chemical ID: 4181922

CC(C)(C)C1=CC(=O)CN(C1)C(C)(C)C
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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Descriptor Annotations

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