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Chemical ID: 6426572
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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