1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one

C14H24N2O — CID 71249714

IUPAC1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
SMILESCC(C)(C)N1CC2(CC1=O)CC1CCC(C2)N1
InChIInChI=1S/C14H24N2O/c1-13(2,3)16-9-14(8-12(16)17)6-10-4-5-11(7-14)15-10/h10-11,15H,4-9H2,1-3H3
InChIKeyOREIEJMQZDTRDR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds

About 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one

1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one (PubChem CID 71249714) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
PubChem CID71249714
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
SMILESCC(C)(C)N1CC2(CC1=O)CC1CCC(C2)N1
InChIInChI=1S/C14H24N2O/c1-13(2,3)16-9-14(8-12(16)17)6-10-4-5-11(7-14)15-10/h10-11,15H,4-9H2,1-3H3
InChIKeyOREIEJMQZDTRDR-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The IUPAC name of 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one (CID 71249714) is 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one is CC(C)(C)N1CC2(CC1=O)CC1CCC(C2)N1.
What is the InChIKey of 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The InChIKey is OREIEJMQZDTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)16-9-14(8-12(16)17)6-10-4-5-11(7-14)15-10/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one has a molecular weight of 236.36 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 71249714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).