3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide

C8H17Br2N — CID 71299918

IUPAC3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide
SMILESBr.CC(C)N1CCC(CBr)C1
InChIInChI=1S/C8H16BrN.BrH/c1-7(2)10-4-3-8(5-9)6-10;/h7-8H,3-6H2,1-2H3;1H
InChIKeySHLAQSNGTOBNOF-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.69
Rot. Bonds2

About 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide

3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide (PubChem CID 71299918) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide
PubChem CID71299918
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC Name3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide
SMILESBr.CC(C)N1CCC(CBr)C1
InChIInChI=1S/C8H16BrN.BrH/c1-7(2)10-4-3-8(5-9)6-10;/h7-8H,3-6H2,1-2H3;1H
InChIKeySHLAQSNGTOBNOF-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide?
The IUPAC name of 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide (CID 71299918) is 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide.
What is the SMILES notation for 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide?
The canonical SMILES for 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide is Br.CC(C)N1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide?
The InChIKey is SHLAQSNGTOBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN.BrH/c1-7(2)10-4-3-8(5-9)6-10;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide?
3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide has a molecular weight of 287.04 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-propan-2-ylpyrrolidine;hydrobromide is sourced from PubChem (CID 71299918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).