Benzylmaleimide

C11H9NO2CAS 1631-26-1187.20 g/mol

Open in Covalent MOL file
OON
AlkeneAmideLactam

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
Melting point
68–69 °C
Boiling point
177 °C (at 20 Torr)
logP
1.11Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
1631-26-1
SMILES
O=C1C=CC(=O)N1Cc1ccccc1
InChIKey
MKRBAPNEJMFMHU-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2

Weigh it out

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

Names and synonyms

10 names
  • 1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-
  • Maleimide, N-benzyl-
  • 1-(Phenylmethyl)-1H-pyrrole-2,5-dione
  • N-Benzylmaleimide
  • 1-Benzyl-1H-pyrrole-2,5-dione
  • 1-Benzyl-2,5-pyrroledione
  • NSC 12802
  • 1-Benzyl-pyrrole-2,5-dione
  • N-Benzylpyrrole-2,5-dione
  • 1-Benzyl-2,5-dihydro-1H-pyrrole-2,5-dione

Work with Benzylmaleimide

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

Benzylphthalimide2142-01-057 % similar N-Phenylmaleimide941-69-550 % similar 1,2-Bismaleimidoethane5132-30-944 % similar Tribenzylamine620-40-644 % similar 1-Benzyl-4-piperidone3612-20-244 % similar (S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-444 % similar 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine18184-75-344 % similar N-Benzylaminodiacetic acid3987-53-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 Indole-3-acrylic acid1204-06-4 N-(4-Methylphenyl)maleimide1631-28-3 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-8 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0 Methyl 3-isoquinolinecarboxylate27104-73-0

Elsewhere

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