Free Chemical Databases
-
[Synonyms]
NSC286682
[Structure]
[ Properties Computed from Structure]
Molecular Weight 219.28288 [g/mol] Molecular Formula C12H17N3O XLogP 2.2 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 1 Tautomer Count 3 Exact Mass 219.137162 MonoIsotopic Mass 219.137162 Topological Polar Surface Area 67.5 Heavy Atom Count 16 Formal Charge 0 Complexity 371 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (spiro[5.5]undeca-4,9-dien-3-ylideneamino)urea
Canonical SMILES: C1CC2(CCC(=NNC(=O)N)C=C2)CC=C1
InChI: InChI=1/C12H17N3O/c13-11(16)15-14-10-4-8-12(9-5-10)6-2-1-3-7-12/h1-2,4,
8H,3,5-7,9H2,(H3,13,15,16)/f/h15H,13H2
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