Chemical ID: 6421484

Cn1ccc[n+](c1=O)C
Chemical ID:
6421484
Name [?]:
1,3-dimethylpyrimidin-2-one
SMILES [?]:
Cn1ccc[n+](c1=O)C
InChi [?]:
InChI=1/C6H9N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,4,3,5,7,2,6,8/E:(1,2)(4,5)(7,8)/CRV:8+1/rA:9nCNCCCN+COC/rB:s1;s2;d3;s4;d5;s2s6;d7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N2O+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-22.263
Area:267.894
Solvation:-28.9603
Coulombic:0.025057
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:125.149
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.03
LogP (Chemaxon):-3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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