Basic information
- CAS
40856-75-5- Standard SMILES
CC(C)C[C@@H]1NC(=O)NC1=O- InChIKey
WLRZLHCGXUHRIG-YFKPBYRVSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Overview
L-5-isobutylhydantoin is a member of benzenes and an imidazolidine-2,4-dione. It is an enantiomer of a D-5-isobutylhydantoin.
Names & identifiers
- Preferred name
- (S)-5-(Isobutyl)imidazolidine-2,4-dione
- IUPAC
- (5S)-5-(2-methylpropyl)imidazolidine-2,4-dione
- English name
- (S)-5-(isobutyl)imidazolidine-2,4-dione
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
40856-75-5(5S)-5-(2-methylpropyl)imidazolidine-2,4-dione(S)-5-Isobutylimidazolidine-2,4-dione(S)-5-(Isobutyl)imidazolidine-2,4-dioneEINECS 255-116-6L-5-isobutylhydantoin(5S)-5-isobutylhydantoinSCHEMBL29598045CHEBI:233610WLRZLHCGXUHRIG-YFKPBYRVSA-NDTXSID301247585NS00057778
Show more names
(S)-5-(2-Methylpropyl)-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-(2-methylpropyl)-, (5S)-
(5S)-5-(2-Methylpropyl)-2,4-imidazolidinedione
Database identifiers
- CAS
40856-75-5- PubChem CID
- 700302
- DTXSID
DTXSID301247585- ChEBI
CHEBI:233610- EC Number
- 255-116-6
- Nikkaji
- J294.773K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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