[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine

C9H13BrN2O — CID 63947995

IUPAC[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2occc2Br)C1
InChIInChI=1S/C9H13BrN2O/c10-8-2-4-13-9(8)12-3-1-7(5-11)6-12/h2,4,7H,1,3,5-6,11H2
InChIKeyLQFZKWXVJQCYJA-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.83
Rot. Bonds2

About [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine

[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 63947995) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID63947995
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2occc2Br)C1
InChIInChI=1S/C9H13BrN2O/c10-8-2-4-13-9(8)12-3-1-7(5-11)6-12/h2,4,7H,1,3,5-6,11H2
InChIKeyLQFZKWXVJQCYJA-UHFFFAOYSA-N
XLogP1.83
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.83
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)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine (CID 63947995) is [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2occc2Br)C1.
What is the InChIKey of [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is LQFZKWXVJQCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-2-4-13-9(8)12-3-1-7(5-11)6-12/h2,4,7H,1,3,5-6,11H2.
What are the key properties of [1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine?
[1-(3-bromofuran-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 245.12 g/mol, XLogP of 1.83, 2 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)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63947995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).