Phthalimidoacetone

C₁₁H₉NO₃CAS 3416-57-7203.20 g/mol

Open in Covalent MOL file

Amide Ketone Lactam

Properties

Molecular formula: C₁₁H₉NO₃
Molar mass: 203.20 g/mol
Exact mass: 203.0582 Da
logP: 0.87Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

3416-57-7

SMILES

CC(=O)CN1C(=O)C2=CC=CC=C2C1=O

InChIKey

STMRGLKPBJVVEG-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3

Weigh it out

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

Work with Phthalimidoacetone

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

2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-758 % similar N-Phthaloylglycine4702-13-058 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-655 % similar N-(Hydroxymethyl)phthalimide118-29-653 % similar Benzylphthalimide2142-01-053 % similar N-(Bromomethyl)phthalimide5332-26-353 % similar N-Butylphthalimide1515-72-651 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-550 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 (S)-(+)-N-(2,3-Epoxypropyl)phthalimide161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0

Elsewhere

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