spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one

C10H16N2O — CID 83683657

IUPACspiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CN1)CC1CCC(C2)N1
InChIInChI=1S/C10H16N2O/c13-9-5-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyUPVMNYDLPSZCSD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.41
Rot. Bonds

About spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one

spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one (PubChem CID 83683657) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Namespiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
PubChem CID83683657
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namespiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CN1)CC1CCC(C2)N1
InChIInChI=1S/C10H16N2O/c13-9-5-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyUPVMNYDLPSZCSD-UHFFFAOYSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The IUPAC name of spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one (CID 83683657) is spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one is O=C1CC2(CN1)CC1CCC(C2)N1.
What is the InChIKey of spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
The InChIKey is UPVMNYDLPSZCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-5-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13).
What are the key properties of spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one?
spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one has a molecular weight of 180.25 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 83683657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).