Granatane-3-spiro-5'-hydantoin

HCID 174237

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Basic information

CAS: 64572-21-0
Standard SMILES: CN1C2CCCC1CC1(C2)NC(=O)NC1=O
InChIKey: RLNYFAIMGPPWGN-UHFFFAOYSA-N
Molecular formula: C11H17N3O2
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.13207679

Names & identifiers

Preferred name: Granatane-3-spiro-5'-hydantoin
IUPAC: 9-methylspiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dione
English name: granatane-3-spiro-5'-hydantoin
Molecular formula: C11H17N3O2
Molecular weight: 223.27158

Names & synonyms

Granatane-3-spiro-5'-hydantoinG-3SH81424-64-8Spiro(9-azabicyclo(3.3.1)nonane-3,4'-imidazolidine)-2',5'-dione, 9-methyl-RefChem:14428664572-21-0NSC3191009-methylspiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dioneDTXSID90983191NSC-3191009-Methylspiro[9-azabicyclo[3.3.1]nonane-3,4'-imidazole]-2',5'-diol

Database identifiers

CAS: 64572-21-0、81424-64-8
PubChem CID: 174237
DTXSID: DTXSID90983191

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 341

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