Chemical ID: 6320977

Cc1ccc(c(c1)NC(=O)C=C)OC
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

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Descriptor Annotations

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