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

C4H8ClN — CID 67584333

IUPAC2,3-dihydro-1H-pyrrol-1-ium chloride
SMILESC1=C[NH2+]CC1.[Cl-]
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1,3,5H,2,4H2;1H
InChIKeyZQJINTOPKCUVJS-UHFFFAOYSA-N
MW105.57 g/mol
LogP-3.53
Rot. Bonds

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

2,3-dihydro-1H-pyrrol-1-ium chloride (PubChem CID 67584333) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrol-1-ium chloride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrol-1-ium chloride
PubChem CID67584333
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name2,3-dihydro-1H-pyrrol-1-ium chloride
SMILESC1=C[NH2+]CC1.[Cl-]
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1,3,5H,2,4H2;1H
InChIKeyZQJINTOPKCUVJS-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 ≤ 500105.57
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,3-dihydro-1H-pyrrol-1-ium chloride 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
(But-3-en-1-yl)(methyl)amine hydrochloride
CID 118987104
(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
2-Fluorodihydropyrrole
CID 129745347
5-Methylpyrroline
CID 14620016
1,2,3,4-Tetrahydropyridine hydrochloride
CID 18388400
1-Methyl--pyrrolinium chloride
CID 68589039
Dihydropyrrol-2-amine
CID 70339927
Pyrrolinium bromide
CID 70422975
n-Propyl 1-propenylamine
CID 73861099
N-Methyl but-3-enyl amine hydrochloride
CID 76458146

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrol-1-ium chloride?
The IUPAC name of 2,3-dihydro-1H-pyrrol-1-ium chloride (CID 67584333) is 2,3-dihydro-1H-pyrrol-1-ium chloride.
What is the SMILES notation for 2,3-dihydro-1H-pyrrol-1-ium chloride?
The canonical SMILES for 2,3-dihydro-1H-pyrrol-1-ium chloride is C1=C[NH2+]CC1.[Cl-].
What is the InChIKey of 2,3-dihydro-1H-pyrrol-1-ium chloride?
The InChIKey is ZQJINTOPKCUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.ClH/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 chloride?
2,3-dihydro-1H-pyrrol-1-ium chloride has a molecular weight of 105.57 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 chloride is sourced from PubChem (CID 67584333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).