1-(bromomethyl)pyrrolidine

C5H10BrN — CID 19386827

IUPAC1-(bromomethyl)pyrrolidine
SMILESBrCN1CCCC1
InChIInChI=1S/C5H10BrN/c6-5-7-3-1-2-4-7/h1-5H2
InChIKeyRWECCVGEJCDHCA-UHFFFAOYSA-N
MW164.05 g/mol
LogP1.43
Rot. Bonds1

About 1-(bromomethyl)pyrrolidine

1-(bromomethyl)pyrrolidine (PubChem CID 19386827) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is 1-(bromomethyl)pyrrolidine.

Molecular Properties

Compound Name1-(bromomethyl)pyrrolidine
PubChem CID19386827
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name1-(bromomethyl)pyrrolidine
SMILESBrCN1CCCC1
InChIInChI=1S/C5H10BrN/c6-5-7-3-1-2-4-7/h1-5H2
InChIKeyRWECCVGEJCDHCA-UHFFFAOYSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.43
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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Related Compounds

ethane;piperidin-1-ylmethanamine
CID 166079141
1-(3-bromopropyl)pyrrolidine
CID 13034044
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
ethane;1-ethylpiperidine
CID 90845344
ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
CID 142194562
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1,6-diethyl-1,6-diazecane
CID 172611513
methane;2-piperidin-1-ylethanamine
CID 158303452
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 107913916

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)pyrrolidine?
The IUPAC name of 1-(bromomethyl)pyrrolidine (CID 19386827) is 1-(bromomethyl)pyrrolidine.
What is the SMILES notation for 1-(bromomethyl)pyrrolidine?
The canonical SMILES for 1-(bromomethyl)pyrrolidine is BrCN1CCCC1.
What is the InChIKey of 1-(bromomethyl)pyrrolidine?
The InChIKey is RWECCVGEJCDHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN/c6-5-7-3-1-2-4-7/h1-5H2.
What are the key properties of 1-(bromomethyl)pyrrolidine?
1-(bromomethyl)pyrrolidine has a molecular weight of 164.05 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)pyrrolidine is sourced from PubChem (CID 19386827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).