Chem E 3 Dimethylamino 1 Pyridin 3 Ylprop 2 En 1 One Dsrpl

Compound 248
  CheckMol                        TMF02:r0:m0
MF=C10H12N2O MW=176.22
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4924   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266   -2.2268   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.2268   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414   -1.4569   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3385   -3.7192   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5703   -1.4687   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561   -2.1913   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6532   -4.4536   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8614   -2.2031   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9680   -3.6837   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1525   -1.4451   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495   -3.6956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  2  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-

₹ 0.00 0.00

Chemical Name - (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
Mol Weight - 176.218
Smiles - CN(C)/C=C/C(c1cnccc1)=O

Property Name	Property Value
Mol Name	(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
Molweight	176.218
Monoisotopic Mass	176.094963
Clogp	0.0314
Clogs	-1.122
H Acceptors	3
Total Surface Area	151.09
Relative Psa	0.18241
Polar Surface Area	33.2
Druglikeness	1.4632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.69231
Molecular Flexibility	0.49797
Molecular Complexity	0.59725
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	1
Aromatic Nitrogens	1
Smiles	CN(C)/C=C/C(c1cnccc1)=O
InChIKey	InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3
InChI	MZLRFUCMBQWLNV-UHFFFAOYSA-N

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1 - (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
2 - (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

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(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-