3-Acetyl-1-chlorocarbonyl-2-imidazolidone

C₆H₇ClN₂O₃CAS 41730-71-6190.58 g/mol

Open in Covalent MOL file

Acyl halide Amide Urea

Properties

Molecular formula: C₆H₇ClN₂O₃
Molar mass: 190.58 g/mol
Exact mass: 190.0145 Da
logP: 0.63Crippen estimate
Polar surface area: 57.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

41730-71-6

SMILES

CC(=O)N1CCN(C1=O)C(=O)Cl

InChIKey

CCRQBNJTBJRTJD-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2O3/c1-4(10)8-2-3-9(5(7)11)6(8)12/h2-3H2,1H3

Weigh it out

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

Work with 3-Acetyl-1-chlorocarbonyl-2-imidazolidone

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

Tetraacetylethylenediamine10543-57-454 % similar 3-(Methylsulfonyl)-2-oxo-1-imidazolidinecarbonyl chloride41762-76-950 % similar 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride59703-00-341 % similar 1,4-Diacetyl-2,5-piperazinedione3027-05-240 % similar 1-Acetyl-2-pyrrolidone932-17-239 % similar Acetylcaprolactam1888-91-137 % similar 1-Pyrrolidinecarbonyl chloride1192-63-835 % similar N-Acetylpyrrolidine4030-18-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-3-nitropyridine hydrochloride31872-61-4

Elsewhere

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