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Chemical ID: 6320977
Chemical ID:
6320977
Name [?]:
N-(2-methoxy-5-methyl-phenyl)prop-2-enamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C=C)OC
InChi [?]:
InChI=1/C11H13NO2/c1-4-11(13)12-9-7-8(2)5-6-10(9)14-3/h4-7H,1H2,2-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:12,1,14,11,3,4,7,2,6,5,9,8,10,13/rA:14nCCCCCCCNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s5;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66593 |
Area: | 372.461 |
Solvation: | -2.6456 |
Coulombic: | -30.0095 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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