chempirical

5-Aminoisoindolin-1-one

C8H8N2OCAS 222036-66-0148.16 g/mol

Open in Covalent MOL file
H2NONH
AmideLactamPrimary amine

Properties

Molecular formula
C8H8N2O
Molar mass
148.16 g/mol
Exact mass
148.0637 Da
logP
0.51Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

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
222036-66-0
SMILES
C1C2=C(C=CC(=C2)N)C(=O)N1
InChIKey
RGJCJWXNNDARPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)

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Names and synonyms

1 names
  • 5-Amino-2,3-dihydro-isoindol-1-one

Work with 5-Aminoisoindolin-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

5-Bromo-2,3-dihydro-isoindol-1-one552330-86-660 % similar 5-Nitroisoindolin-1-one876343-38-353 % similar 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-950 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-049 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one376584-62-248 % similar 5-Aminophthalide65399-05-547 % similar 6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-947 % similar 2,6-Diaminoanthraquinone131-14-644 % 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 2-Amino-5-methoxybenzonitrile23842-82-2 4-Methoxy-1H-indazole351210-06-5

Elsewhere

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