8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one

C12H20N2O — CID 62740867

IUPAC8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1CCC(N2C3CCC2CC(=O)C3)C1
InChIInChI=1S/C12H20N2O/c1-13-5-4-11(8-13)14-9-2-3-10(14)7-12(15)6-9/h9-11H,2-8H2,1H3
InChIKeyGWRPLVDFXFGYCH-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.89
Rot. Bonds1

About 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740867) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740867
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1CCC(N2C3CCC2CC(=O)C3)C1
InChIInChI=1S/C12H20N2O/c1-13-5-4-11(8-13)14-9-2-3-10(14)7-12(15)6-9/h9-11H,2-8H2,1H3
InChIKeyGWRPLVDFXFGYCH-UHFFFAOYSA-N
XLogP0.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62740867) is 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one is CN1CCC(N2C3CCC2CC(=O)C3)C1.
What is the InChIKey of 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is GWRPLVDFXFGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-5-4-11(8-13)14-9-2-3-10(14)7-12(15)6-9/h9-11H,2-8H2,1H3.
What are the key properties of 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 208.30 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).