Chem 18 Diazabicyclo540undec 7 Ene

Compound 79
  CheckMol                        TMF02:r0:m0
MF=C9H16N2 MW=152.24
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    0.7522   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2811    0.7639   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163    2.2565   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -0.1645   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    2.2683   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    3.1968   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0087   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9489    0.1763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9607    2.8794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071    1.5279   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  0  2  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  4  7  1  0  1  0  0
  4  8  1  0  1  0  0
  5  9  1  0  1  0  0
  7 10  1  0  1  0  0
  9 11  1  0  1  0  0
  6  8  1  0  1  0  0
 10 11  1  0  1  0  0
M  END

1,8-Diazabicyclo[5.4.0]undec-7-ene

₹ 0.00 0.00

Chemical Name - 1,8-Diazabicyclo[5.4.0]undec-7-ene
Mol Weight - 152.24
Smiles - C(C1)CN=C2N1CCCCC2

Property Name	Property Value
Mol Name	1,8-Diazabicyclo[5.4.0]undec-7-ene
Molweight	152.24
Monoisotopic Mass	152.131348
Clogp	1.0959
Clogs	-1.487
H Acceptors	2
Total Surface Area	129.85
Relative Psa	0.11598
Polar Surface Area	15.6
Druglikeness	-1.6152
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.2446
Molecular Complexity	0.652
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Sp3 Atoms	8
Basic Nitrogens	1
Smiles	C(C1)CN=C2N1CCCCC2
InChIKey	InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChI	GQHTUMJGOHRCHB-UHFFFAOYSA-N

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1 - 1,8-Diazabicyclo[5.4.0]undec-7-ene
2 - 1,8-Diazabicyclo[5.4.0]undec-7-ene

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1,8-Diazabicyclo[5.4.0]undec-7-ene