chempirical

Indirubin

C16H10N2O2CAS 479-41-4262.27 g/mol

Open in Covalent MOL file
OOHNHN
AlkeneKetoneSecondary amine

Properties

Molecular formula
C16H10N2O2
Molar mass
262.27 g/mol
Exact mass
262.0742 Da
Melting point
204–205 °C
logP
3.31Crippen estimate
Polar surface area
61.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
479-41-4
SMILES
O=C1C(=C2C(O)=Nc3ccccc32)Nc2ccccc21
InChIKey
CRDNMYFJWFXOCH-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
  • [δ2,3′-Biindoline]-2′,3-dione
  • 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one
  • C.I. 73200
  • Indigopurpurin
  • Indigo red
  • Couroupitine B
  • NSC 105327

Work with Indirubin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromoindirubin-3′-oxime667463-62-950 % similar Isatin91-56-544 % similar Isatin β-oxime607-28-338 % similar N-Acetylanthranilic acid89-52-135 % similar Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate1168150-46-633 % similar N-Methylanthranilic acid119-68-633 % similar N-Benzylanthranilic acid6622-55-533 % similar Semaxinib204005-46-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Indigo blue482-89-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook