1-methylpyrrolidin-1-ium;bromide;chloride

C5H12BrClN- — CID 158151207

IUPAC1-methylpyrrolidin-1-ium;bromide;chloride
SMILESC[NH+]1CCCC1.[Br-].[Cl-]
InChIInChI=1S/C5H11N.BrH.ClH/c1-6-4-2-3-5-6;;/h2-5H2,1H3;2*1H/p-1
InChIKeyRCYPOTGYQLDCDP-UHFFFAOYSA-M
MW201.51 g/mol
LogP-6.70
Rot. Bonds

About 1-methylpyrrolidin-1-ium;bromide;chloride

1-methylpyrrolidin-1-ium;bromide;chloride (PubChem CID 158151207) has the molecular formula C5H12BrClN- and a molecular weight of 201.51 g/mol. Its IUPAC name is 1-methylpyrrolidin-1-ium;bromide;chloride.

Molecular Properties

Compound Name1-methylpyrrolidin-1-ium;bromide;chloride
PubChem CID158151207
Molecular FormulaC5H12BrClN-
Molecular Weight201.51 g/mol
Exact Mass199.98
IUPAC Name1-methylpyrrolidin-1-ium;bromide;chloride
SMILESC[NH+]1CCCC1.[Br-].[Cl-]
InChIInChI=1S/C5H11N.BrH.ClH/c1-6-4-2-3-5-6;;/h2-5H2,1H3;2*1H/p-1
InChIKeyRCYPOTGYQLDCDP-UHFFFAOYSA-M
XLogP-6.70
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.51
LogP ≤ 5-6.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-1-ium;bromide;chloride?
The IUPAC name of 1-methylpyrrolidin-1-ium;bromide;chloride (CID 158151207) is 1-methylpyrrolidin-1-ium;bromide;chloride.
What is the SMILES notation for 1-methylpyrrolidin-1-ium;bromide;chloride?
The canonical SMILES for 1-methylpyrrolidin-1-ium;bromide;chloride is C[NH+]1CCCC1.[Br-].[Cl-].
What is the InChIKey of 1-methylpyrrolidin-1-ium;bromide;chloride?
The InChIKey is RCYPOTGYQLDCDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N.BrH.ClH/c1-6-4-2-3-5-6;;/h2-5H2,1H3;2*1H/p-1.
What are the key properties of 1-methylpyrrolidin-1-ium;bromide;chloride?
1-methylpyrrolidin-1-ium;bromide;chloride has a molecular weight of 201.51 g/mol, XLogP of -6.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-1-ium;bromide;chloride is sourced from PubChem (CID 158151207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).