1-Acetyl-2-imidazolidinone

C₅H₈N₂O₂CAS 5391-39-9128.13 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₅H₈N₂O₂
Molar mass: 128.13 g/mol
Exact mass: 128.0586 Da
Melting point: 171.5–173 °C
logP: -0.24Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed57.1% of notifiers
H315 Causes skin irritation42.9% of notifiers
H319 Causes serious eye irritation57.1% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5391-39-9

SMILES

CC(=O)N1CCN=C1O

InChIKey

JJWACYUTERPMBM-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)

Weigh it out

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

Names and synonyms

3 names

2-Imidazolidinone, 1-acetyl-
N-Acetyl-2-imidazolidinone
N-Acetylimidazolidinone

Work with 1-Acetyl-2-imidazolidinone

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-Oxo-1-imidazolidinecarbonyl chloride13214-53-456 % similar Tetraacetylethylenediamine10543-57-448 % similar 1-(Methylsulfonyl)-2-imidazolidinone41730-79-442 % similar 1,4-Diacetyl-2,5-piperazinedione3027-05-240 % similar 1-Acetyl-2-pyrrolidone932-17-239 % similar 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-538 % similar Acetylcaprolactam1888-91-137 % similar 1-(2-Aminoethyl)-2-imidazolidinone6281-42-137 % similar

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

Same formula

5-Ethylhydantoin15414-82-1 3-Amino-2,6-piperidinedione2353-44-8 N-(2-Cyanoethyl)glycine3088-42-4 1H-Imidazole-4,5-dimethanol33457-48-6 Dihydrothymine696-04-8 6-Methylpyridazin-3-ol hydrate7143-82-0 Dimethylhydantoin77-71-4

Elsewhere

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