Mrv1572004191601212D          

  6  5  0  0  0  0            999 V2000
    2.4750   -1.4289    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
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004423

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C=C)N=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3

> <INCHI_KEY>
AWZVYNHQGTZJIH-UHFFFAOYSA-N

> <FORMULA>
C3H6N2O

> <MOLECULAR_WEIGHT>
86.094

> <EXACT_MASS>
86.048012821

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.211371675578452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethenyl(methyl)nitrosoamine

> <ALOGPS_LOGP>
0.32

> <JCHEM_LOGP>
0.5432882223333334

> <ALOGPS_LOGS>
-0.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.7427270329821926

> <JCHEM_POLAR_SURFACE_AREA>
32.67

> <JCHEM_REFRACTIVITY>
23.7427

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.48e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-nitrosomethylvinylamine

> <JCHEM_VEBER_RULE>
1

> <NAME>
N-Nitrosomethylvinylamine

> <CAS>
4549-40-0

> <SYNONYMS>
<i>N</i>-Nitrosomethylvinylamine

$$$$