3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one

C14H18BrN3O2 — CID 126828784

IUPAC3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCC(Oc3cncc(Br)c3)C2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-17-4-3-13(14(17)19)18-5-2-11(9-18)20-12-6-10(15)7-16-8-12/h6-8,11,13H,2-5,9H2,1H3
InChIKeyRKGOGPRGBJJYCL-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.53
Rot. Bonds3

About 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one

3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 126828784) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID126828784
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCC(Oc3cncc(Br)c3)C2)C1=O
InChIInChI=1S/C14H18BrN3O2/c1-17-4-3-13(14(17)19)18-5-2-11(9-18)20-12-6-10(15)7-16-8-12/h6-8,11,13H,2-5,9H2,1H3
InChIKeyRKGOGPRGBJJYCL-UHFFFAOYSA-N
XLogP1.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one (CID 126828784) is 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2CCC(Oc3cncc(Br)c3)C2)C1=O.
What is the InChIKey of 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is RKGOGPRGBJJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17-4-3-13(14(17)19)18-5-2-11(9-18)20-12-6-10(15)7-16-8-12/h6-8,11,13H,2-5,9H2,1H3.
What are the key properties of 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 340.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 126828784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).