tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate

C15H22BrN3O2 — CID 71305372

IUPACtert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(Br)cnc12
InChIInChI=1S/C15H22BrN3O2/c1-14(2,3)21-13(20)18-7-4-15(5-8-18)6-9-19-11(16)10-17-12(15)19/h10H,4-9H2,1-3H3
InChIKeyOXFOHAHABIRBIO-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.32
Rot. Bonds

About tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate

tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate (PubChem CID 71305372) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate
PubChem CID71305372
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Nametert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(Br)cnc12
InChIInChI=1S/C15H22BrN3O2/c1-14(2,3)21-13(20)18-7-4-15(5-8-18)6-9-19-11(16)10-17-12(15)19/h10H,4-9H2,1-3H3
InChIKeyOXFOHAHABIRBIO-UHFFFAOYSA-N
XLogP3.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate (CID 71305372) is tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCn1c(Br)cnc12.
What is the InChIKey of tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate?
The InChIKey is OXFOHAHABIRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-14(2,3)21-13(20)18-7-4-15(5-8-18)6-9-19-11(16)10-17-12(15)19/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate?
tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 71305372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).