Free Chemical Databases
-
[Synonyms]
NSC71257
6953-38-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 204.22518 [g/mol] Molecular Formula C11H12N2O2 XLogP 1.6 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 204.089878 MonoIsotopic Mass 204.089878 Topological Polar Surface Area 68.1 Heavy Atom Count 15 Formal Charge 0 Complexity 245 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 5-amino-1H-indole-3-carboxylate
Canonical SMILES: CCOC(=O)C1=CNC2=C1C=C(C=C2)N
InChI: InChI=1/C11H12N2O2/c1-2-15-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,2,
12H2,1H3
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