Chemical ID: 6426572

Cc1ccccc1NC=C2CCOC2=O
Chemical ID:
6426572
Name [?]:
3-(o-tolylaminomethylene)tetrahydrofuran-2-one
SMILES [?]:
Cc1ccccc1NC=C2CCOC2=O
InChi [?]:
InChI=1/C12H13NO2/c1-9-4-2-3-5-11(9)13-8-10-6-7-15-12(10)14/h2-5,8,13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,11,12,9,2,10,7,14,8,15,13/rA:15nCCCCCCCNCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.85928
Area:386.821
Solvation:-2.81126
Coulombic:-29.956
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:203.237
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.96

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