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Chemical ID: 5171784
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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