5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one

C11H15BrN2O2 — CID 104653034

IUPAC5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c1-7(9-3-4-10(12)16-9)13-6-8-2-5-11(15)14-8/h3-4,7-8,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyOJLORSOLSIMHAY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.97
Rot. Bonds4

About 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one

5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 104653034) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID104653034
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c1-7(9-3-4-10(12)16-9)13-6-8-2-5-11(15)14-8/h3-4,7-8,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyOJLORSOLSIMHAY-UHFFFAOYSA-N
XLogP1.97
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one (CID 104653034) is 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one is CC(NCC1CCC(=O)N1)c1ccc(Br)o1.
What is the InChIKey of 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is OJLORSOLSIMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(9-3-4-10(12)16-9)13-6-8-2-5-11(15)14-8/h3-4,7-8,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 287.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 104653034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).