1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde

C₁₀H₇NO₃CAS 2913-97-5189.17 g/mol

Open in Covalent MOL file

Aldehyde Amide Lactam

Properties

Molecular formula: C₁₀H₇NO₃
Molar mass: 189.17 g/mol
Exact mass: 189.0426 Da
Melting point: 114.5 °C
logP: 0.48Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2913-97-5

SMILES

O=CCN1C(=O)c2ccccc2C1=O

InChIKey

LMRDBJZQDUVCQH-UHFFFAOYSA-N

InChI

InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2

Weigh it out

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

Names and synonyms

15 names · show all

2H-Isoindole-2-acetaldehyde, 1,3-dihydro-1,3-dioxo-
Phthalimide, N-(formylmethyl)-
Phthalimidoacetaldehyde
1,3-Dioxo-2-isoindolineacetaldehyde
Phthalylglycine aldehyde
2-Phthalimidoacetaldehyde
N-(Formylmethyl)phthalimide
N-(2-Oxoethyl)phthalimide
(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetaldehyde
NSC 30242
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyde
2-(1,3-Dioxoisoindolin-2-yl)acetaldehyde
2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetaldehyde
2-(1,3-Dioxoisoindol-2-yl)acetaldehyde
2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)acetaldehyde

Work with 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde

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

3-Phthalimidopropionaldehyde2436-29-568 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-657 % similar N-(Hydroxymethyl)phthalimide118-29-655 % similar Benzylphthalimide2142-01-055 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-755 % similar N-(Bromomethyl)phthalimide5332-26-355 % similar N-(2-Hydroxyethyl)phthalimide3891-07-452 % similar N-(2-Bromoethyl)phthalimide574-98-152 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9

Elsewhere

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