4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 116
Total Number of Articles : 164
PubChem 47289
Molecular Formula

C10H13N3O2

SMILES

CN(CCCC(=O)C1=CN=CC=C1)N=O

InChI

InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3

synonyms
  • 64091-91-4
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
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Properties
Property Value
MW 207.23 g/mol
HBD 0
HBA 5
Rotatable Bond Count 5
Exact Mass 207.100776666 g/mol
Monoisotopic Mass 207.100776666 g/mol
Heavy Atom Count 15
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 221
xlogp 0.8
Topological Polar Surface Area 62.6