5-Aminoisoindolin-1-one

C₈H₈N₂OCAS 222036-66-0148.16 g/mol

Open in Covalent MOL file

Amide Lactam Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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