ChEBI


  4  4  0  0  0  0  0  0  0  0  1 V2000
   16.7032  -14.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0288  -14.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7032  -15.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0288  -15.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:30968

> <NAME>
azetidine

> <STAR>
3

> <SYNONYM>
trimethylenimine; trimethylene imine; azacyclobutane

> <IUPAC_NAME>
azetidine

> <FORMULA>
C3H7N

> <MASS>
57.09442

> <MONOISOTOPIC_MASS>
57.05785

> <CHARGE>
0

> <SMILES>
C1CNC1

> <INCHI>
InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2

> <INCHIKEY>
HONIICLYMWZJFZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
102384

> <CAS_REGISTRY_NUMBER>
503-29-7

> <GMELIN_REGISTRY_NUMBER>
986

> <CHEMIDPLUS>
503-29-7

> <NIST_CHEMISTRY_WEBBOOK>
503-29-7

$$$$