2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine

C9H13BrN2O — CID 106889460

IUPAC2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1occc1Br
InChIInChI=1S/C9H13BrN2O/c1-12-4-2-7(11)8(12)9-6(10)3-5-13-9/h3,5,7-8H,2,4,11H2,1H3
InChIKeyZIBCGXBRNOEQQO-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.75
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine

2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine (PubChem CID 106889460) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
PubChem CID106889460
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1occc1Br
InChIInChI=1S/C9H13BrN2O/c1-12-4-2-7(11)8(12)9-6(10)3-5-13-9/h3,5,7-8H,2,4,11H2,1H3
InChIKeyZIBCGXBRNOEQQO-UHFFFAOYSA-N
XLogP1.75
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine (CID 106889460) is 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine is CN1CCC(N)C1c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZIBCGXBRNOEQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12-4-2-7(11)8(12)9-6(10)3-5-13-9/h3,5,7-8H,2,4,11H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine?
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine has a molecular weight of 245.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 106889460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).