Chemical ID: 5171784

Cc1cccc(c1NC(=O)C(=C)C)C
Chemical ID:
5171784
Name [?]:
N-(2,6-dimethylphenyl)-2-methyl-prop-2-enamide
SMILES [?]:
Cc1cccc(c1NC(=O)C(=C)C)C
InChi [?]:
InChI=1/C12H15NO/c1-8(2)12(14)13-11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:12,13,1,14,4,3,5,11,2,6,7,9,8,10/E:(3,4)(6,7)(9,10)/rA:14nCCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.48335
Area:369.002
Solvation:-1.74169
Coulombic:-22.532
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):2.04

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