(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine

C6H9BrN2 — CID 131145281

IUPAC(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine
SMILESC[C@@H](N)c1c[nH]cc1Br
InChIInChI=1S/C6H9BrN2/c1-4(8)5-2-9-3-6(5)7/h2-4,9H,8H2,1H3/t4-/m1/s1
InChIKeyYTEBEPPBHLHLLV-SCSAIBSYSA-N
MW189.06 g/mol
LogP1.80
Rot. Bonds1

About (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine

(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine (PubChem CID 131145281) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine
PubChem CID131145281
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine
SMILESC[C@@H](N)c1c[nH]cc1Br
InChIInChI=1S/C6H9BrN2/c1-4(8)5-2-9-3-6(5)7/h2-4,9H,8H2,1H3/t4-/m1/s1
InChIKeyYTEBEPPBHLHLLV-SCSAIBSYSA-N
XLogP1.80
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine (CID 131145281) is (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine is C[C@@H](N)c1c[nH]cc1Br.
What is the InChIKey of (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine?
The InChIKey is YTEBEPPBHLHLLV-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4(8)5-2-9-3-6(5)7/h2-4,9H,8H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine?
(1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine has a molecular weight of 189.06 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 131145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).