chempirical

2-Ethyl-1H-isoindole-1,3(2H)-dione

C10H9NO2CAS 5022-29-7175.19 g/mol

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NOO
AmideLactam

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
79 °C
Boiling point
285.5 °C
logP
1.30Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5022-29-7
SMILES
CCN1C(=O)c2ccccc2C1=O
InChIKey
JZDSOQSUCWVBMV-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3

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Names and synonyms

7 names
  • 1H-Isoindole-1,3(2H)-dione, 2-ethyl-
  • Phthalimide, N-ethyl-
  • N-Ethylphthalimide
  • NSC 2774
  • 2-Ethylisoindoline-1,3-dione
  • 2-Ethyl-2,3-dihydro-1H-isoindole-1,3-dione
  • 2-Ethylisoindole-1,3-dione

Work with 2-Ethyl-1H-isoindole-1,3(2H)-dione

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Butylphthalimide1515-72-661 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-661 % similar N-(Hydroxymethyl)phthalimide118-29-659 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-059 % similar N-(Bromomethyl)phthalimide5332-26-359 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-555 % similar N-(2-Hydroxyethyl)phthalimide3891-07-455 % similar N-(2-Bromoethyl)phthalimide574-98-155 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carboxaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 4-Methyl-1H-indole-2-carboxylic acid18474-57-2

Elsewhere

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