7972
  -OEChem-04242412562D

 18 18  0     0  0  0  0  0  0999 V2000
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7972

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
50

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAAAAAAAADhgAYCAAMABAAAAAAAAAAAAAAAAAAAAAAIAAACAAAAAAADAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methylmorpholine

> <PUBCHEM_IUPAC_CAS_NAME>
4-methylmorpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methylmorpholine

> <PUBCHEM_IUPAC_NAME>
4-methylmorpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methylmorpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methylmorpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SJRJJKPEHAURKC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.3

> <PUBCHEM_EXACT_MASS>
101.084063974

> <PUBCHEM_MOLECULAR_FORMULA>
C5H11NO

> <PUBCHEM_MOLECULAR_WEIGHT>
101.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCOCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCOCC1

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
101.084063974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$