1-Phenylisatin

C14H9NO2CAS 723-89-7223.23 g/mol

Open in Covalent MOL file
OON
AmideKetoneLactam

Properties

Molecular formula
C14H9NO2
Molar mass
223.23 g/mol
Exact mass
223.0633 Da
Melting point
138 °C
logP
2.55Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
723-89-7
SMILES
O=C1C(=O)N(c2ccccc2)c2ccccc21
InChIKey
UWCPWBIMRYXUOU-UHFFFAOYSA-N
InChI
InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole-2,3-dione, 1-phenyl-
  • Indole-2,3-dione, 1-phenyl-
  • Isatin, 1-phenyl-
  • 1-Phenyl-1H-indole-2,3-dione
  • N-Phenylisatin
  • NSC 100013
  • 1-Phenyl-2,3-indolinedione
  • 1-Phenylindole-2,3-dione
  • 1-Phenyl-2,3-dihydro-1H-indole-2,3-dione

Work with 1-Phenylisatin

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

1-Methylisatin2058-74-456 % similar Acetylisatin574-17-451 % similar 1-Allylisatin830-74-051 % similar 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione79183-19-044 % similar N,N-Diphenylcarbamic chloride83-01-242 % similar 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-642 % similar N,N-Diphenylacetamide519-87-941 % similar Dichlone117-80-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoanthraquinone117-79-3 1-(Naphthalen-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione3369-39-9 N-Phenylphthalimide520-03-6 Acridine-9-carboxylic acid5336-90-3 4'-Cyano[1,1'-biphenyl]-4-carboxylic acid5728-46-1 9-Nitroanthracene602-60-8 1-Aminoanthraquinone82-45-1 3-Phenyl-2,1-benzisoxazole-5-carbaldehyde94752-06-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook