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

C8H8N2OCAS 366452-98-4148.16 g/mol

Open in Covalent MOL file
H2NNHO
Primary amine

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

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