2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone

C11H15BrN2O2 — CID 115745353

IUPAC2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCc1ccc(Br)o1)N1CCCC1
InChIInChI=1S/C11H15BrN2O2/c12-10-4-3-9(16-10)7-13-8-11(15)14-5-1-2-6-14/h3-4,13H,1-2,5-8H2
InChIKeyFHJVCGZSQKEGDV-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.75
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 115745353) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID115745353
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCc1ccc(Br)o1)N1CCCC1
InChIInChI=1S/C11H15BrN2O2/c12-10-4-3-9(16-10)7-13-8-11(15)14-5-1-2-6-14/h3-4,13H,1-2,5-8H2
InChIKeyFHJVCGZSQKEGDV-UHFFFAOYSA-N
XLogP1.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 113242919
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
2-[(5-nitrofuran-2-yl)methylamino]-1-piperidin-1-ylethanone
CID 112689835
2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
2-[(3,4-dibromophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113255289
3-methyl-5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 103262594
2-[(4,5-dibromothiophen-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 102837298
N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 54881657
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
N-[(5-bromofuran-2-yl)methyl]-2-chloroprop-2-en-1-amine
CID 115745349
2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103581539
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 115745353) is 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone is O=C(CNCc1ccc(Br)o1)N1CCCC1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FHJVCGZSQKEGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-4-3-9(16-10)7-13-8-11(15)14-5-1-2-6-14/h3-4,13H,1-2,5-8H2.
What are the key properties of 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 287.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115745353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).