Mrv1652309272007422D          

 10 10  0  0  0  0            999 V2000
10000.306410000.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0220 9999.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.735510000.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0220 9998.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.938410001.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.920010000.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2526 9999.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5075 9998.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3325 9998.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5874 9999.7373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6  5  1  0  0  0  0
 10  1  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB006790

> <DATABASE_NAME>
foodb

> <SMILES>
CN1CCC[C@@H]1CC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1

> <INCHI_KEY>
ADKXZIOQKHHDNQ-MRVPVSSYSA-N

> <FORMULA>
C8H15NO

> <MOLECULAR_WEIGHT>
141.2108

> <EXACT_MASS>
141.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
16.3455702364747

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
0.7003555696666667

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.542698879430624

> <JCHEM_PKA_STRONGEST_BASIC>
9.269051089694173

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
41.534400000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-hygrine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB006790

> <GENERIC_NAME>
Hygrine

$$$$