bis(pyrrolidin-1-ium) dichloride

C8H20Cl2N2 — CID 141446574

IUPACbis(pyrrolidin-1-ium) dichloride
SMILESC1CC[NH2+]C1.C1CC[NH2+]C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H9N.2ClH/c2*1-2-4-5-3-1;;/h2*5H,1-4H2;2*1H
InChIKeyUAFUIWDKLIXSAZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP-7.30
Rot. Bonds

About bis(pyrrolidin-1-ium) dichloride

bis(pyrrolidin-1-ium) dichloride (PubChem CID 141446574) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is bis(pyrrolidin-1-ium) dichloride.

Molecular Properties

Compound Namebis(pyrrolidin-1-ium) dichloride
PubChem CID141446574
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Namebis(pyrrolidin-1-ium) dichloride
SMILESC1CC[NH2+]C1.C1CC[NH2+]C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H9N.2ClH/c2*1-2-4-5-3-1;;/h2*5H,1-4H2;2*1H
InChIKeyUAFUIWDKLIXSAZ-UHFFFAOYSA-N
XLogP-7.30
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-7.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(pyrrolidin-1-ium) dichloride?
The IUPAC name of bis(pyrrolidin-1-ium) dichloride (CID 141446574) is bis(pyrrolidin-1-ium) dichloride.
What is the SMILES notation for bis(pyrrolidin-1-ium) dichloride?
The canonical SMILES for bis(pyrrolidin-1-ium) dichloride is C1CC[NH2+]C1.C1CC[NH2+]C1.[Cl-].[Cl-].
What is the InChIKey of bis(pyrrolidin-1-ium) dichloride?
The InChIKey is UAFUIWDKLIXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9N.2ClH/c2*1-2-4-5-3-1;;/h2*5H,1-4H2;2*1H.
What are the key properties of bis(pyrrolidin-1-ium) dichloride?
bis(pyrrolidin-1-ium) dichloride has a molecular weight of 215.17 g/mol, XLogP of -7.30, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyrrolidin-1-ium) dichloride is sourced from PubChem (CID 141446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).