Chemical ID: 6517359

CC1=CC(CC(=O)N1)c2ccco2
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

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Descriptor Annotations

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