chempirical

N-(Hydroxymethyl)-3,4,5,6-tetrahydrophthalimide

C9H11NO3CAS 4887-42-7181.19 g/mol

Open in Covalent MOL file
OONOH
AlcoholAlkeneAmideLactam

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
Melting point
80–82 °C
logP
0.18Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4887-42-7
SMILES
O=C1C2=C(CCCC2)C(=O)N1CO
InChIKey
QQHOVRKETYPQHY-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h11H,1-5H2

Weigh it out

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

Names and synonyms

9 names
  • N-(Hydroxymethyl)-1-cyclohexene-1,2-dicarboximide
  • 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(hydroxymethyl)-
  • 1-Cyclohexene-1,2-dicarboximide, N-(hydroxymethyl)-
  • 4,5,6,7-Tetrahydro-2-(hydroxymethyl)-1H-isoindole-1,3(2H)-dione
  • (3,4,5,6-Tetrahydrophthalamido)methanol
  • (3,4,5,6-Tetrahydrophthalimido)methanol
  • 3,4,5,6-Tetrahydrophthalimidomethyl alcohol
  • 2-(Hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
  • 2-(Hydroxymethyl)-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione

Work with N-(Hydroxymethyl)-3,4,5,6-tetrahydrophthalimide

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

N-(Hydroxymethyl)-2-pyrrolidone15438-71-835 % similar N-(Hydroxymethyl)phthalimide118-29-633 % similar 3,4,5,6-Tetrahydrophthalic anhydride2426-02-032 % similar D-trans-Tetramethrin1166-46-731 % similar N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide6334-25-431 % similar Tetramethrin7696-12-031 % similar 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione4720-86-930 % similar Tetramethylolacetylenediurea5395-50-630 % similar

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

Same formula

2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 3-amino-4-methoxybenzoate24812-90-6 Methyl 4-amino-2-methoxybenzoate27492-84-8 Methyl (αR)-α-amino-4-hydroxybenzeneacetate37763-23-8

Elsewhere

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