1,3-Diazaspiro[4.5]decane-2,4-dione

C8H12N2O2CAS 702-62-5168.20 g/mol

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ONHOHN

Properties

Molecular formula
C8H12N2O2
Molar mass
168.20 g/mol
Exact mass
168.0899 Da
Melting point
215 °C
logP
1.57Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
702-62-5
SMILES
OC1=NC2(CCCCC2)C(O)=N1
InChIKey
NERNEXMEYQFFHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)

Weigh it out

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Names and synonyms

7 names
  • 5,5-Pentamethylenehydantoin
  • Spiro[cyclohexane-1,5′-hydantoin]
  • Ba 2840
  • 5,5-Pentamethylenespirohydantoin
  • 5,5′-Cyclohexanespirohydantoin
  • NSC 16617
  • NSC 172110

Work with 1,3-Diazaspiro[4.5]decane-2,4-dione

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

8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione28936-94-948 % similar 1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate183673-70-345 % similar Dimethylhydantoin77-71-443 % similar 5-Ethyl-5-methylhydantoin16820-12-542 % similar Phenytoin57-41-036 % similar Nirvanol631-07-234 % similar 2-Azaspiro(4.5)decan-3-one64744-50-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-0 N,N'-Ethylenebisacrylamide2956-58-3 2,5-Pyrazinediethanol4744-51-8 1-(tert-Butoxycarbonyl)imidazole49761-82-2 1,3-Dimethyl-5-ethoxycarbonylpyrazole5744-40-1 Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-4 2,4-Diaminophenoxyethanol70643-19-5 Hexamethylene diisocyanate822-06-0

Elsewhere

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