N-Benzyl-2,3-azetidinedione

C₁₀H₉NO₂CAS 75986-07-1175.19 g/mol

Open in Covalent MOL file

Amide Ketone Lactam

Properties

Molecular formula: C₁₀H₉NO₂
Molar mass: 175.19 g/mol
Exact mass: 175.0633 Da
logP: 0.60Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

75986-07-1

SMILES

C1C(=O)C(=O)N1CC2=CC=CC=C2

InChIKey

HBWNSGWWMJJECM-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO2/c12-9-7-11(10(9)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2

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Names and synonyms

2 names

1-Benzylazetidine-2,3-dione
1-Benzyl-2,3-azetidinedione

Work with N-Benzyl-2,3-azetidinedione

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

1-Benzyl-2-pyrrolidinone5291-77-047 % similar 1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-546 % similar N-(Carboxymethyl)-N-(phenylmethyl)glycine3987-53-944 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-644 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-044 % similar 1-Benzylpiperazin-2-one59702-21-544 % similar Tetrabenzylthiuram disulfide10591-85-243 % similar Benzylmaleimide1631-26-143 % 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 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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