529251
  CDK     1118211529

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.3826    0.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -0.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    1.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695    0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7257   -1.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0 
  2  5  2  0  0  0  0 
  2  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:184280

> <NAME>
3,4-Dihydro-5-propanoyl-2H-pyrrole

> <STAR>
2

> <IUPAC_NAME>
1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one

> <FORMULA>
C7H11NO

> <MASS>
125.171

> <MONOISOTOPIC_MASS>
125.08406

> <CHARGE>
0

> <SMILES>
O=C(C1=NCCC1)CC

> <INCHI>
InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3

> <INCHIKEY>
OVNCGQSYSSYBPO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
133447-37-7

> <CHEMIDPLUS>
133447-37-7

$$$$