1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine

C10H15BrN2O — CID 131091304

IUPAC1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1occc1Br
InChIInChI=1S/C10H15BrN2O/c11-8-3-6-14-10(8)9(12)7-13-4-1-2-5-13/h3,6,9H,1-2,4-5,7,12H2
InChIKeyAHVNWGLGOQKIJL-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.14
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine

1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 131091304) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID131091304
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1occc1Br
InChIInChI=1S/C10H15BrN2O/c11-8-3-6-14-10(8)9(12)7-13-4-1-2-5-13/h3,6,9H,1-2,4-5,7,12H2
InChIKeyAHVNWGLGOQKIJL-UHFFFAOYSA-N
XLogP2.14
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine (CID 131091304) is 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine is NC(CN1CCCC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is AHVNWGLGOQKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-8-3-6-14-10(8)9(12)7-13-4-1-2-5-13/h3,6,9H,1-2,4-5,7,12H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine?
1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 259.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 131091304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).