5-Methylhydantoin

C₄H₆N₂O₂CAS 616-03-5114.10 g/mol

Open in Covalent MOL file

Amide Lactam Urea

Properties

Molecular formula: C₄H₆N₂O₂
Molar mass: 114.10 g/mol
Exact mass: 114.0429 Da
logP: -0.79Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

616-03-5

SMILES

CC1C(=O)NC(=O)N1

InChIKey

VMAQYKGITHDWKL-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)

Weigh it out

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

Work with 5-Methylhydantoin

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

5-Ethylhydantoin15414-82-148 % similar H-Val-ala-oh27493-61-432 % similar N-(1-Methyl-2-oxopropyl)acetamide6628-81-532 % similar (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Diketopiperazine106-57-0 Piperazine-2,3-dione13092-86-9 Piperazine-2,6-dione4774-22-5 Dihydrouracil504-07-4 1-Methylhydantoin616-04-6 Ethyl diazoacetate623-73-4 Fumaramide627-64-5

Elsewhere

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