Chem 1 Pyrrolidino 1 Cyclohexene Dsrpl

Compound 114
  CheckMol                        TMF02:r0:m0
MF=C10H17N MW=151.25
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110   -0.7323   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -0.6023   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.4999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219    0.0354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3228   -2.2204   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    0.5197   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944    1.8188   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9329   -0.6968   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -2.9526   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447   -2.1849   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  1  0  0
  1  4  1  0  1  0  0
  2  5  2  0  1  0  0
  2  6  1  0  1  0  0
  3  7  1  0  1  0  0
  4  8  1  0  1  0  0
  5  9  1  0  1  0  0
  6 10  1  0  1  0  0
  9 11  1  0  1  0  0
  7  8  1  0  1  0  0
 10 11  1  0  1  0  0
M  END

1-Pyrrolidino-1-cyclohexene

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Chemical Name - 1-Pyrrolidino-1-cyclohexene
Mol Weight - 151.252
Smiles - C(CC1)CN1C1=CCCCC1

Property Name	Property Value
Mol Name	1-Pyrrolidino-1-cyclohexene
Molweight	151.252
Monoisotopic Mass	151.136099
Clogp	2.288
Clogs	-2.169
H Acceptors	1
Total Surface Area	131.59
Relative Psa	0.026978
Polar Surface Area	3.24
Druglikeness	-1.8195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.36686
Molecular Complexity	0.57233
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Sp3 Atoms	9
Symmetric Atoms	2
Basic Nitrogens	1
Smiles	C(CC1)CN1C1=CCCCC1
InChIKey	InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2
InChI	KTZNVZJECQAMBV-UHFFFAOYSA-N

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1 - 1-Pyrrolidino-1-cyclohexene
2 - 1-Pyrrolidino-1-cyclohexene

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1-Pyrrolidino-1-cyclohexene