3-bromo-2,5-dihydro-1H-pyrrole

C4H6BrN — CID 57236151

IUPAC3-bromo-2,5-dihydro-1H-pyrrole
SMILESBrC1=CCNC1
InChIInChI=1S/C4H6BrN/c5-4-1-2-6-3-4/h1,6H,2-3H2
InChIKeyCFNIOFNMSXDDSZ-UHFFFAOYSA-N
MW148.00 g/mol
LogP0.87
Rot. Bonds

About 3-bromo-2,5-dihydro-1H-pyrrole

3-bromo-2,5-dihydro-1H-pyrrole (PubChem CID 57236151) has the molecular formula C4H6BrN and a molecular weight of 148.00 g/mol. Its IUPAC name is 3-bromo-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-bromo-2,5-dihydro-1H-pyrrole
PubChem CID57236151
Molecular FormulaC4H6BrN
Molecular Weight148.00 g/mol
Exact Mass146.97
IUPAC Name3-bromo-2,5-dihydro-1H-pyrrole
SMILESBrC1=CCNC1
InChIInChI=1S/C4H6BrN/c5-4-1-2-6-3-4/h1,6H,2-3H2
InChIKeyCFNIOFNMSXDDSZ-UHFFFAOYSA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.00
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-bromo-2,5-dihydro-1H-pyrrole (CID 57236151) is 3-bromo-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-bromo-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-bromo-2,5-dihydro-1H-pyrrole is BrC1=CCNC1.
What is the InChIKey of 3-bromo-2,5-dihydro-1H-pyrrole?
The InChIKey is CFNIOFNMSXDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN/c5-4-1-2-6-3-4/h1,6H,2-3H2.
What are the key properties of 3-bromo-2,5-dihydro-1H-pyrrole?
3-bromo-2,5-dihydro-1H-pyrrole has a molecular weight of 148.00 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 57236151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).