Free Chemical Databases
-
[Synonyms]
NSC131071
74235-74-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 124.14052 [g/mol] Molecular Formula C6H8N2O XLogP 0.2 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 0 Tautomer Count 5 Exact Mass 124.063663 MonoIsotopic Mass 124.063663 Topological Polar Surface Area 41.5 Heavy Atom Count 9 Formal Charge 0 Complexity 186 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3a,4,5,6-tetrahydro-2H-cyclopenta[d]pyrazol-3-one
Canonical SMILES: C1CC2C(=NNC2=O)C1
InChI: InChI=1/C6H8N2O/c9-6-4-2-1-3-5(4)7-8-6/h4H,1-3H2,(H,8,9)/f/h8H
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