3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine

C10H20BrNO2 — CID 80690047

IUPAC3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
SMILESCOCCOCCN1CCC(CBr)C1
InChIInChI=1S/C10H20BrNO2/c1-13-6-7-14-5-4-12-3-2-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyCNWZXRMOZSAZLL-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.37
Rot. Bonds7

About 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine

3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine (PubChem CID 80690047) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
PubChem CID80690047
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
SMILESCOCCOCCN1CCC(CBr)C1
InChIInChI=1S/C10H20BrNO2/c1-13-6-7-14-5-4-12-3-2-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyCNWZXRMOZSAZLL-UHFFFAOYSA-N
XLogP1.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine (CID 80690047) is 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine is COCCOCCN1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
The InChIKey is CNWZXRMOZSAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-13-6-7-14-5-4-12-3-2-10(8-11)9-12/h10H,2-9H2,1H3.
What are the key properties of 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine?
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 80690047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).