6377
  -OEChem-05112421312D

 11 11  0     1  0  0  0  0  0999 V2000
    3.3660   -0.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4930    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    0.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486    0.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737    1.1036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6377

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
26.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCAAAAAAAAAAAAAAAAFgAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAALAAAAAAAAAAAAAAAAAAAAAAIAIAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methylaziridine

> <PUBCHEM_IUPAC_CAS_NAME>
2-methylaziridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methylaziridine

> <PUBCHEM_IUPAC_NAME>
2-methylaziridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methylaziridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylethylenimine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OZDGMOYKSFPLSE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
57.057849228

> <PUBCHEM_MOLECULAR_FORMULA>
C3H7N

> <PUBCHEM_MOLECULAR_WEIGHT>
57.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CN1

> <PUBCHEM_CACTVS_TPSA>
21.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
57.057849228

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
2  4  3

$$$$