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Chemical ID: 5195201
Chemical ID:
5195201
Name [?]:
1-allyl-5-(2-furyl)pyridin-2-one
SMILES [?]:
C=CCn1cc(ccc1=O)c2ccco2
InChi [?]:
InChI=1/C12H11NO2/c1-2-7-13-9-10(5-6-12(13)14)11-4-3-8-15-11/h2-6,8-9H,1,7H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,7,8,3,14,5,6,11,9,4,10,15/rA:15nCCCNCCCCCOCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s4s8;d9;s6;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9269 |
Area: | 385.648 |
Solvation: | -2.7143 |
Coulombic: | -24.8068 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.2 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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