2,3-dihydro-1H-pyrrol-1-ium bromide

C4H8BrN — CID 70422975

IUPAC2,3-dihydro-1H-pyrrol-1-ium bromide
SMILESC1=C[NH2+]CC1.[Br-]
InChIInChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h1,3,5H,2,4H2;1H
InChIKeyWTGKEDWTXKZVBI-UHFFFAOYSA-N
MW150.02 g/mol
LogP-3.53
Rot. Bonds

About 2,3-dihydro-1H-pyrrol-1-ium bromide

2,3-dihydro-1H-pyrrol-1-ium bromide (PubChem CID 70422975) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrol-1-ium bromide.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrol-1-ium bromide
PubChem CID70422975
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name2,3-dihydro-1H-pyrrol-1-ium bromide
SMILESC1=C[NH2+]CC1.[Br-]
InChIInChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h1,3,5H,2,4H2;1H
InChIKeyWTGKEDWTXKZVBI-UHFFFAOYSA-N
XLogP-3.53
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,3-dihydro-1H-pyrrol-1-ium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolidines
CID 10176084
Pyrroline
CID 94395
(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
2-Fluorodihydropyrrole
CID 129745347
5-Methylpyrroline
CID 14620016
Pyrrolinium chloride
CID 67584333
1-Methyl--pyrrolinium chloride
CID 68589039
4-Bromo-4,5-di-hydropyrrole
CID 69760248
Dihydropyrrol-2-amine
CID 70339927
n-Propyl 1-propenylamine
CID 73861099
1,2,2,3,3-Pentadeuteriopyrrole
CID 129633638
Pyridine-d6
CID 129707989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrol-1-ium bromide?
The IUPAC name of 2,3-dihydro-1H-pyrrol-1-ium bromide (CID 70422975) is 2,3-dihydro-1H-pyrrol-1-ium bromide.
What is the SMILES notation for 2,3-dihydro-1H-pyrrol-1-ium bromide?
The canonical SMILES for 2,3-dihydro-1H-pyrrol-1-ium bromide is C1=C[NH2+]CC1.[Br-].
What is the InChIKey of 2,3-dihydro-1H-pyrrol-1-ium bromide?
The InChIKey is WTGKEDWTXKZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h1,3,5H,2,4H2;1H.
What are the key properties of 2,3-dihydro-1H-pyrrol-1-ium bromide?
2,3-dihydro-1H-pyrrol-1-ium bromide has a molecular weight of 150.02 g/mol, XLogP of -3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrol-1-ium bromide is sourced from PubChem (CID 70422975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).