1-(dichloromethylidene)pyrrolidin-1-ium

C5H8Cl2N+ — CID 14987961

IUPAC1-(dichloromethylidene)pyrrolidin-1-ium
SMILESClC(Cl)=[N+]1CCCC1
InChIInChI=1S/C5H8Cl2N/c6-5(7)8-3-1-2-4-8/h1-4H2/q+1
InChIKeyQPTLLQDGSXVNSE-UHFFFAOYSA-N
MW153.03 g/mol
LogP1.63
Rot. Bonds

About 1-(dichloromethylidene)pyrrolidin-1-ium

1-(dichloromethylidene)pyrrolidin-1-ium (PubChem CID 14987961) has the molecular formula C5H8Cl2N+ and a molecular weight of 153.03 g/mol. Its IUPAC name is 1-(dichloromethylidene)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(dichloromethylidene)pyrrolidin-1-ium
PubChem CID14987961
Molecular FormulaC5H8Cl2N+
Molecular Weight153.03 g/mol
Exact Mass152.00
IUPAC Name1-(dichloromethylidene)pyrrolidin-1-ium
SMILESClC(Cl)=[N+]1CCCC1
InChIInChI=1S/C5H8Cl2N/c6-5(7)8-3-1-2-4-8/h1-4H2/q+1
InChIKeyQPTLLQDGSXVNSE-UHFFFAOYSA-N
XLogP1.63
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(dichloromethylidene)pyrrolidin-1-ium 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

Pyrrolidinium, 1-methylene-, chloride
CID 11789188
1-(Chloromethylidene)pyrrolidin-1-ium
CID 13004353
1-(Dichloromethylidene)pyrrolidin-1-ium chloride
CID 14987960
Trichloromethylpyrrolidine
CID 70395930
1-(Chloromethyl)pyrrolidine;hydrochloride
CID 11446471
1-(Chloromethylidene)pyrrolidin-1-ium chloride
CID 20248460
1-(Dichloromethyl)pyrrolidine
CID 21976977
Chloroform;1-methylpyrrolidine
CID 117979793
Dichloromethane;1-methylpyrrolidine
CID 158334039
1,1-Bis(chloromethyl)pyrrolidin-1-ium
CID 171730328

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethylidene)pyrrolidin-1-ium?
The IUPAC name of 1-(dichloromethylidene)pyrrolidin-1-ium (CID 14987961) is 1-(dichloromethylidene)pyrrolidin-1-ium.
What is the SMILES notation for 1-(dichloromethylidene)pyrrolidin-1-ium?
The canonical SMILES for 1-(dichloromethylidene)pyrrolidin-1-ium is ClC(Cl)=[N+]1CCCC1.
What is the InChIKey of 1-(dichloromethylidene)pyrrolidin-1-ium?
The InChIKey is QPTLLQDGSXVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2N/c6-5(7)8-3-1-2-4-8/h1-4H2/q+1.
What are the key properties of 1-(dichloromethylidene)pyrrolidin-1-ium?
1-(dichloromethylidene)pyrrolidin-1-ium has a molecular weight of 153.03 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethylidene)pyrrolidin-1-ium is sourced from PubChem (CID 14987961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).