chempirical

1-Allylisatin

C11H9NO2CAS 830-74-0187.20 g/mol

Open in Covalent MOL file
NOO
AlkeneAmideKetoneLactam

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
logP
1.40Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
830-74-0
SMILES
C=CCN1C2=CC=CC=C2C(=O)C1=O
InChIKey
ZWNYDPBLEDGGQD-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2

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Names and synonyms

1 names
  • 1-Allyl-1H-indole-2,3-dione

Work with 1-Allylisatin

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-Phenylisatin723-89-751 % similar 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione79183-19-049 % similar 1-Methylisatin2058-74-449 % similar Acetylisatin574-17-445 % similar Diallyl phthalate131-17-939 % similar 1-Acetyl-3-indolinone16800-68-336 % similar Vinylphthalimide3485-84-534 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-533 % similar

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

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-8 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0

Elsewhere

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