4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one

C16H20N4O — CID 82855845

IUPAC4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C12CCN1CCCC12
InChIInChI=1S/C16H20N4O/c17-14-16(8-10-19-9-4-7-13(16)19)20(15(21)18-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,17,18,21)
InChIKeyJQCOQEHUKOQADX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds2

About 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one

4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one (PubChem CID 82855845) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
PubChem CID82855845
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C12CCN1CCCC12
InChIInChI=1S/C16H20N4O/c17-14-16(8-10-19-9-4-7-13(16)19)20(15(21)18-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,17,18,21)
InChIKeyJQCOQEHUKOQADX-UHFFFAOYSA-N
XLogP1.59
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one (CID 82855845) is 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one is NC1=NC(=O)N(Cc2ccccc2)C12CCN1CCCC12.
What is the InChIKey of 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one?
The InChIKey is JQCOQEHUKOQADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-14-16(8-10-19-9-4-7-13(16)19)20(15(21)18-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,17,18,21).
What are the key properties of 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one?
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one has a molecular weight of 284.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one is sourced from PubChem (CID 82855845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).