Mrv1572004191602392D          

 11 10  0  0  0  0            999 V2000
   -2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  4  0  0  0
  8  6  2  0  0  0  0
  9  5  1  4  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009308

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(C=C)=NCN=C(O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)

> <INCHI_KEY>
ZIUHHBKFKCYYJD-UHFFFAOYSA-N

> <FORMULA>
C7H10N2O2

> <MOLECULAR_WEIGHT>
154.169

> <EXACT_MASS>
154.07422757

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
16.10081012493623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-{[(1-hydroxyprop-2-en-1-ylidene)amino]methyl}prop-2-enimidic acid

> <ALOGPS_LOGP>
0.75

> <JCHEM_LOGP>
1.4771457423333334

> <ALOGPS_LOGS>
-2.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.0584946514219675

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.24702568019548

> <JCHEM_PKA_STRONGEST_BASIC>
2.2910561945009764

> <JCHEM_POLAR_SURFACE_AREA>
65.18

> <JCHEM_REFRACTIVITY>
41.9045

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.45e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{[(1-hydroxyprop-2-en-1-ylidene)amino]methyl}prop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
N,N'-Methylenebisacrylamide

> <CAS>
110-26-9

> <SYNONYMS>
N-[(prop-2-enamido)methyl]prop-2-enamide

$$$$