Chem 4 Piperidone Ethylene Ketal Ncc

Compound 71
  CheckMol                        TMF02:r0:m0
MF=C7H13NO2 MW=143.19
 10 11  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8768   -1.2086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456   -0.4503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -2.4172   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6115   -2.5002   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233    0.1066   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -1.9432   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1045   -2.4883   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163    0.1185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -1.1731   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  0  1  0  0
  2  5  1  0  1  0  0
  2  6  1  0  1  0  0
  3  7  1  0  1  0  0
  5  8  1  0  1  0  0
  6  9  1  0  1  0  0
  8 10  1  0  1  0  0
  4  7  1  0  1  0  0
  9 10  1  0  1  0  0
M  END

4-Piperidone-Ethylene Ketal

₹ 0.00 0.00

Chemical Name - 4-Piperidone-Ethylene Ketal
Mol Weight - 143.185
Smiles - C1OC2(CCNCC2)OC1
InChI - KPKNTUUIEVXMOH-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2

Property Name	Property Value
Mol Name	4-Piperidone-Ethylene Ketal
Molweight	143.185
Monoisotopic Mass	143.094629
Clogp	-0.1021
Clogs	-0.811
H Acceptors	3
H Donors	1
Total Surface Area	110.93
Relative Psa	0.2836
Polar Surface Area	30.49
Druglikeness	-5.7035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.15142
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Sp3 Atoms	10
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	C1OC2(CCNCC2)OC1
InChIKey	InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
InChI	KPKNTUUIEVXMOH-UHFFFAOYSA-N

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4-Piperidone-Ethylene Ketal