1-(3-bromopropyl)pyrrolidine;hydrochloride

C7H15BrClN — CID 13034045

IUPAC1-(3-bromopropyl)pyrrolidine;hydrochloride
SMILESBrCCCN1CCCC1.Cl
InChIInChI=1S/C7H14BrN.ClH/c8-4-3-7-9-5-1-2-6-9;/h1-7H2;1H
InChIKeyJQFIITYJMVCWCI-UHFFFAOYSA-N
MW228.56 g/mol
LogP2.29
Rot. Bonds3

About 1-(3-bromopropyl)pyrrolidine;hydrochloride

1-(3-bromopropyl)pyrrolidine;hydrochloride (PubChem CID 13034045) has the molecular formula C7H15BrClN and a molecular weight of 228.56 g/mol. Its IUPAC name is 1-(3-bromopropyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromopropyl)pyrrolidine;hydrochloride
PubChem CID13034045
Molecular FormulaC7H15BrClN
Molecular Weight228.56 g/mol
Exact Mass227.01
IUPAC Name1-(3-bromopropyl)pyrrolidine;hydrochloride
SMILESBrCCCN1CCCC1.Cl
InChIInChI=1S/C7H14BrN.ClH/c8-4-3-7-9-5-1-2-6-9;/h1-7H2;1H
InChIKeyJQFIITYJMVCWCI-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromobutyl)pyrrolidine hydrobromide
CID 71756026
3-Bromo-1-methylpyrrolidine
CID 13726279
1-(3-Bromopropyl)pyrrolidine hydrobromide
CID 20135920
1-(2-Bromoethyl)pyrrolidine hydrobromide
CID 20137485
1-(2-Bromoethyl)pyrrolidine
CID 12440780
1-(4-Bromobutyl)pyrrolidine
CID 22742030
1-(3-Bromopropyl)pyrrolidine
CID 13034044
1-Ethyl-1-methylpyrrolidine bromide
CID 141485274
3-Bromo-1-(2-fluoroethyl)pyrrolidine
CID 80696731
3-Bromo-1-(3-fluoropropyl)pyrrolidine
CID 81113687
1-(2-Bromoethyl)pyrrolidine hydrochloride
CID 12440781
3-Bromo-1-ethylpyrrolidine
CID 13726280

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(3-bromopropyl)pyrrolidine;hydrochloride (CID 13034045) is 1-(3-bromopropyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(3-bromopropyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(3-bromopropyl)pyrrolidine;hydrochloride is BrCCCN1CCCC1.Cl.
What is the InChIKey of 1-(3-bromopropyl)pyrrolidine;hydrochloride?
The InChIKey is JQFIITYJMVCWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN.ClH/c8-4-3-7-9-5-1-2-6-9;/h1-7H2;1H.
What are the key properties of 1-(3-bromopropyl)pyrrolidine;hydrochloride?
1-(3-bromopropyl)pyrrolidine;hydrochloride has a molecular weight of 228.56 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 13034045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).