1-(chloromethyl)pyrrolidine;hydrobromide

C5H11BrClN — CID 173063472

IUPAC1-(chloromethyl)pyrrolidine;hydrobromide
SMILESBr.ClCN1CCCC1
InChIInChI=1S/C5H10ClN.BrH/c6-5-7-3-1-2-4-7;/h1-5H2;1H
InChIKeyANIIQAHHSVWUQE-UHFFFAOYSA-N
MW200.51 g/mol
LogP1.86
Rot. Bonds1

About 1-(chloromethyl)pyrrolidine;hydrobromide

1-(chloromethyl)pyrrolidine;hydrobromide (PubChem CID 173063472) has the molecular formula C5H11BrClN and a molecular weight of 200.51 g/mol. Its IUPAC name is 1-(chloromethyl)pyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-(chloromethyl)pyrrolidine;hydrobromide
PubChem CID173063472
Molecular FormulaC5H11BrClN
Molecular Weight200.51 g/mol
Exact Mass198.98
IUPAC Name1-(chloromethyl)pyrrolidine;hydrobromide
SMILESBr.ClCN1CCCC1
InChIInChI=1S/C5H10ClN.BrH/c6-5-7-3-1-2-4-7;/h1-5H2;1H
InChIKeyANIIQAHHSVWUQE-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)pyrrolidine;hydrobromide?
The IUPAC name of 1-(chloromethyl)pyrrolidine;hydrobromide (CID 173063472) is 1-(chloromethyl)pyrrolidine;hydrobromide.
What is the SMILES notation for 1-(chloromethyl)pyrrolidine;hydrobromide?
The canonical SMILES for 1-(chloromethyl)pyrrolidine;hydrobromide is Br.ClCN1CCCC1.
What is the InChIKey of 1-(chloromethyl)pyrrolidine;hydrobromide?
The InChIKey is ANIIQAHHSVWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN.BrH/c6-5-7-3-1-2-4-7;/h1-5H2;1H.
What are the key properties of 1-(chloromethyl)pyrrolidine;hydrobromide?
1-(chloromethyl)pyrrolidine;hydrobromide has a molecular weight of 200.51 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)pyrrolidine;hydrobromide is sourced from PubChem (CID 173063472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).