Chemical ID: 5758798

CC1=CC(=O)C(NC1)(C)C
Chemical ID:
5758798
Name [?]:
2,2,5-trimethyl-1,6-dihydropyridin-3-one
SMILES [?]:
CC1=CC(=O)C(NC1)(C)C
InChi [?]:
InChI=1/C8H13NO/c1-6-4-7(10)8(2,3)9-5-6/h4,9H,5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,10,3,8,2,4,6,7,5/E:(2,3)/rA:10nCCCCOCNCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;s6;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.81103
Area:293.118
Solvation:-1.51693
Coulombic:-17.6715
Bond Count [?]
All:10
Single:8
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:139.195
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.01
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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