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Chemical ID: 5169655
Chemical ID:
5169655
Name [?]:
1-(3-methyl-2-pyridyl)imidazolidin-2-one
SMILES [?]:
Cc1cccnc1N2CCNC2=O
InChi [?]:
InChI=1/C9H11N3O/c1-7-3-2-4-10-8(7)12-6-5-11-9(12)13/h2-4H,5-6H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,9,2,7,12,6,11,8,13/rA:13nCCCCCNCNCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.75077 |
Area: | 333.762 |
Solvation: | -2.59329 |
Coulombic: | -34.304 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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