4-Amino-2,3-dihydro-1H-isoindol-1-one

C₈H₈N₂OCAS 366452-98-4148.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.09Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

366452-98-4

SMILES

Nc1cccc2c1CN=C2O

InChIKey

GZRGLZWHIFBBLS-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

1H-Isoindol-1-one, 4-amino-2,3-dihydro-
4-Amino-2,3-dihydroisoindol-1-one
4-Aminoisoindolin-1-one

Work with 4-Amino-2,3-dihydro-1H-isoindol-1-one

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

Isoindolinone480-91-155 % similar 2-Aminobenzohydrazide1904-58-151 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-351 % similar 2-Amino-N-phenylbenzamide4424-17-350 % similar 2-Amino-N-cyclohexylbenzamide56814-11-046 % similar 3-Aminophthalimide2518-24-346 % similar 3,4-Dihydroisoquinolin-1(2H)-one1196-38-943 % similar Anthranilic acid118-92-342 % similar

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

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 1H-Benzimidazole-2-methanol4856-97-7 5-Methoxybenzimidazole4887-80-3 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook