Mrv0541 02231218272D          

  8  8  0  0  0  0            999 V2000
   10.4095  -10.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8385  -10.7760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4095   -9.1260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8385   -9.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240   -9.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530   -9.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530  -10.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240  -10.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB006158

> <DATABASE_NAME>
M2MDB

> <SMILES>
NC1CCCNC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)

> <INCHI_KEY>
YCCMTCQQDULIFE-UHFFFAOYSA-N

> <FORMULA>
C5H10N2O

> <MOLECULAR_WEIGHT>
114.1457

> <EXACT_MASS>
114.079312952

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
11.833530425102632

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-aminopiperidin-2-one

> <ALOGPS_LOGP>
-1.34

> <JCHEM_LOGP>
-1.1129883506666665

> <ALOGPS_LOGS>
0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.551320100513177

> <JCHEM_PKA_STRONGEST_BASIC>
8.438548999200513

> <JCHEM_POLAR_SURFACE_AREA>
55.120000000000005

> <JCHEM_REFRACTIVITY>
30.008599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.44e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-amino-2-piperidone

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB24041

> <GENERIC_NAME>
3-Amino-2-piperidone

$$$$