chempirical

2-(2-Propyn-1-yloxy)-1H-isoindole-1,3(2H)-dione

C11H7NO3CAS 4616-63-1201.18 g/mol

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ONOO
AlkyneAmideLactam

Properties

Molecular formula
C11H7NO3
Molar mass
201.18 g/mol
Exact mass
201.0426 Da
Melting point
149–150 °C
logP
0.85Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
4616-63-1
SMILES
C#CCON1C(=O)c2ccccc2C1=O
InChIKey
HBGZBVPXPDNXOV-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2

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

Names and synonyms

9 names
  • 1H-Isoindole-1,3(2H)-dione, 2-(2-propyn-1-yloxy)-
  • Phthalimide, N-(2-propynyloxy)-
  • 1H-Isoindole-1,3(2H)-dione, 2-(2-propynyloxy)-
  • N-(Propargyloxy)phthalimide
  • NSC 80674
  • 2-(Prop-2-ynyloxy)-isoindole-1,3-dione
  • 2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione
  • 2-(Prop-2-yn-1-yloxy)-2,3-dihydro-1H-isoindole-1,3-dione
  • 2-Prop-2-ynoxyisoindole-1,3-dione

Work with 2-(2-Propyn-1-yloxy)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-642 % similar N-(Hydroxymethyl)phthalimide118-29-641 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-041 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-741 % similar N-(Bromomethyl)phthalimide5332-26-341 % similar N-Aminophthalimide1875-48-540 % similar N-Bromophthalimide2439-85-240 % similar N-Chlorophthalimide3481-09-240 % similar

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

Elsewhere

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