Chemical ID: 6320969

COc1cccc(c1)NC(=O)C=C
Chemical ID:
6320969
Name [?]:
N-(3-methoxyphenyl)prop-2-enamide
SMILES [?]:
COc1cccc(c1)NC(=O)C=C
InChi [?]:
InChI=1/C10H11NO2/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h3-7H,1H2,2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:13,1,12,5,6,4,8,7,3,10,9,11,2/rA:13nCOCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.62104
Area:353.074
Solvation:-3.20581
Coulombic:-28.8933
Bond Count [?]
All:13
Single:8
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:177.2
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.48
LogP (Chemaxon):1.87

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