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Chemical ID: 6517359
Chemical ID:
6517359
Name [?]:
4-(2-furyl)-6-methyl-3,4-dihydro-1H-pyridin-2-one
SMILES [?]:
CC1=CC(CC(=O)N1)c2ccco2
InChi [?]:
InChI=1/C10H11NO2/c1-7-5-8(6-10(12)11-7)9-3-2-4-13-9/h2-5,8H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,3,5,2,4,9,6,8,7,13/rA:13cCCCCCCONCCCCO/rB:s1;d2;s3;s4;s5;d6;s2s6;s4;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.93305 |
Area: | 345.052 |
Solvation: | -2.69326 |
Coulombic: | -25.5603 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.35 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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